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Examples
Incell:=CHEM_NUM_ATOMS(A2)
Result:27
Incell:=CHEM_NUM_ATOMS(A2, "C")
Result:12
Numberofhydrogen-bondacceptors
Displaysthenumberofhydrogen-bondacceptorsbasedontopology.
Function
CHEM_NUM_HBACCEPTORS(cellref)
Example
Incell:=CHEM_NUM_HBACCEPTORS(A2)
Result:1
Numberofhydrogen-bonddonors
Displaysthenumberofhydrogen-bonddonorsbasedontopology.
Function
CHEM_NUM_HBDONORS(cellref)
Example
Incell:=CHEM_NUM_HBDONORS(A2)
Result:0
SMILESstring
DisplaystheSMILESstringforthestructure.
Function
CHEM_SMILES(cellref)
Example
Incell:=CHEM_SMILES(A2)
Result:O=C(C)CC(C1)Cc2c1cccc2
Formalcharge
Displaysthenetchargeonthemolecule.
Function
CHEMPROPSTD_FORMAL_CHARGE(cellref)
Example
Incell:=CHEMPROPSTD_FORMAL_CHARGE(A2
Result:-1
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Rotate pages in pdf permanently - rotate PDF page permanently in C#.net, ASP.NET, MVC, Ajax, WinForms, WPF
Empower Users to Change the Rotation Angle of PDF File Page Using C#
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Rotate pages in pdf permanently - VB.NET PDF Page Rotate Library: rotate PDF page permanently in vb.net, ASP.NET, MVC, Ajax, WinForms, WPF
PDF Document Page Rotation in Visual Basic .NET Class Application
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Doescellhaveastructuredrawing?
ReturnsTRUEifthecellhasaChemOffice/Excelstructuredrawingorreactiondrawings,returnsFALSEotherwise.
Function
ISSTRUCTURE(cellref)
Example
Incell:=ISSTRUCTURE(A2)
Result:False
Doescellhavereactiondrawing?
ReturnsTRUEifthecellcontainsadrawingofareaction.
Function
ISREACTION(cellref)
Example
Incell:=ISREACTION(A2
Result:True
Boilingpoint
Theboilingpointforthemoleculeat1atm.
Units
Kelvin
Function
CHEMPROPPRO_BOILING_POINT(cellref)
Example
Incell:=CHEMPROPPRO_BOILING_POINT(A2)
Result:540.059
Melting/freezingpoint
Themelting/freezingpointforthestructureat1atm.
Units
Kelvin
Function
CHEMPROPPRO_MELTING_POINT(cellref)
Example
Incell:=CHEMPROPPRO_MELTING_POINT(A2)
Result:331.31
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VB.NET PDF Page Redact Library: redact whole PDF pages in vb.net
file & pages edit, C#.NET PDF pages extract, copy, paste, C#.NET rotate PDF pages, C#.NET Enable VB.NET Users to Redact PDF Pages to Protect PDF Document in
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Page: Rotate a PDF Page. PDF Read. Text: Extract Redaction is the process of permanently removing visible our redact function API to redact entire PDF pages.
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Vaporpressure
Thevaporpressureforthestructureat25°C.
Units
P
a
Function
CHEMPROPPRO_VAPOR_PRESSURE(cellref)
Example
Incell:=CHEMPROPPRO_VAPOR_PRESSURE(A2)
Result:47.57999897
Criticalpressure
Theminimumpressurethatmustbeappliedtoliquefythestructureatthecriticaltemperature.
Units
bar
Function
CHEMPROPPRO_CRITICAL_PRESSURE(cellref)
Example
Incell:=CHEMPROPPRO_CRITICAL_PRESSURE(A2)
Result:49.804
Criticaltemperature
Thetemperatureabovewhichthegasformofthestructurecannotbeliquefied,nomattertheappliedpressure.
Units
Kelvin
Function
CHEMPROPPRO_CRITICAL_TEMPERATURE(cellref)
Examples
Incell:=CHEMPROPPRO_CRITICAL_TEMPERATURE(A2)
Result:615.351
Criticalvolume
Thevolumeoccupiedatthecompound'scriticaltemperatureandpressure.
Units
cm
3
/mole
Function
CHEMPROPPRO_CRITICAL_VOLUME(cellref)
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Example
Incell:=CHEMPROPPRO_CRITICAL_VOLUME(A2)
Result:562.5
Gibbsfreeenergy
TheGibbsfreeenergyforthestructureat298.15Kand1atm.
Units
kJ/mole
Function
CHEMPROPPRO_GIBBS_FREE_ENERGY(cellref)
Example
Incell:=CHEMPROPPRO_GIBBS_FREE_ENERGY(A2)
Result:84.77
Heatofformation
Theheatofformationforthestructureat298.15Kand1atm.
Units
kcals/mole
Function
CHEMPROPPRO_HEAT_OF_FORMATION(cellref)
Examples
Incell:=CHEMPROPPRO_HEAT_OF_FORMATION(A2)
Result:-105.73
Idealgasthermalcapacity
Theconstantpressure(1atm)molarheatcapacityat298.15Kforanidealgascompound.
Units
J/[moleK]
Function
CHEMPROPPRO_IDEAL_GAS_THERMAL_CAPACITY(cellref)
Example
Incell:=CHEMPROPPRO_IDEAL_GAS_THERMAL_CAPACITY(A2)
Result:201.036
LogP
Thelogarithmofthepartitioncoefficientforn-octanol/water.
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used document & image files (PDF, Word, TIFF btnRotate270: rotate image or document page in burnAnnotationToImages: permanently burn drawn annotation on page in
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How to C#: Cleanup Images
By setting the BinarizeThreshold property whose value range is 0 to 255, it will permanently modify the image to 1bpp grayscale image of the Detect Blank Pages.
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Functions
CHEMPROPPRO_LOGP(cellref)
CLOGP_DRIVER_PARTITION_COEFFICIENT(cellref)
Examples
Incell:=CHEMPROPPRO_LOGP(A2)
Result:2.233
Incell:=CLOGP_DRIVER_PARTITION_COEFFICIENT(A2)
Result:2.243
Molarrefractivity
Themolarrefractionindex.
Units
cm
3
/mole
Functions
CHEMPROPPRO_MOL_REFRACTIVITY(cellref)
CLOGP_DRIVER_MOL_REFRACTIVITY(cellref)
Examples
Incell:=CHEMPROPPRO_MOL_REFRACTIVITY(A2)
Result:53.305
Incell:=CLOGP_DRIVER_MOL_REFRACTIVITY(A2)
Result:5.3297
Watersolubility
Predictionofthewatersolubilityofthestructureat25°C.
Units
mg/L
Function
CHEMPROPPRO_WATER_SOLUBILITY(cellref)
Example
Incell:=CHEMPROPPRO_WATER_SOLUBILITY(A2)
Result:0
Connollysolventaccessiblesurfacearea
Thelocusofthecenterofasphericalprobe(representingthesolvent)asitisrolledoverthemolecularmodel.
Units
Angstroms
2
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Function
CHEMPROPSTD_CONNOLLY_ACCESSIBLE_AREA(cellref)
Example
Incell:=CHEMPROPSTD_CONNOLLY_ACCESSIBLE_AREA(A2)
Result:428.557
Note:Thedefaultproberadiususedinthecalculationsis1.4angstroms.
Connollymolecularsurfacearea
Thecontactsurfacecreatedwhenasphericalprobe(representingthesolvent)isrolledoverthemolecularmodel.
Units
Angstroms
2
Function
CHEMPROPSTD_CONNOLLY_MOLECULAR_AREA(cellref)
Example
Incell:=CHEMPROPSTD_CONNOLLY_MOLECULAR_AREA(A2)
Result:212.294
Note:Thedefaultproberadiususedinthecalculationsis1.4angstroms.
Note:ThesurfaceareacalculationisperformedwithMichaelConnolly'sprogramforcomputingmolecularsurface
areasandvolume(M.L.Connolly.TheMolecularSurfacePackage.J.Mol.Graphics1993,11).
Connollysolvent-excludedvolume
Thevolumecontainedwithinthecontactmolecularsurface.
Units
Angstroms
3
Function
CHEMPROPSTD_CONNOLLY_SOLVENT_EXCLUDED_VOLUME(cellref)
Example
Incell:=CHEMPROPSTD_CONNOLLY_SOLVENT_EXCLUDED_VOLUME(A2)
Result:170.277
Note:ThevolumecalculationisperformedwithMichaelConnolly'sprogramforcomputingmolecularsurface
areasandvolume(M.L.Connolly.TheMolecularSurfacePackage.J.Mol.Graphics1993,11).
Ovality
Theratioofthemolecularsurfaceareatotheminimumsurfacearea.Theminimumsurfaceareaisthesurfaceareaof
aspherehavingavalueequaltothesolvent-excludedvolumeofthemolecule.ComputedfromtheConnollyMolecular
SurfaceAreaandSolvent-ExcludedVolumeproperties.
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Function
CHEMPROPSTD_OVALITY(cellref)
Example
Incell:=CHEMPROPSTD_OVALITY(A2)
Result:1.428947
PrincipalmomentsofInertia(X,Y,Z)
ThemomentsofinertiawhentheCartesiancoordinateaxesaretheprincipalaxesofthemolecule.
Units
grams/moleangstroms
2
Function
CHEMPROPSTD_PRINCIPAL_MOMENT(cellref)
Example
Incell:=CHEMPROPSTD_PRINCIPAL_MOMENT(A2)
Result:249.5461409.2791658.824
Balabanindex
Function
MOLECULAR_TOPOLOGY_BALABAN_INDEX(cellref)
Example
Incell:=MOLECULAR_TOPOLOGY_BALABAN_INDEX(A2)
Result:29909
Clustercount
Function
MOLECULAR_TOPOLOGY_CLUSTER_COUNT(cellref)
Example
Incell:=MOLECULAR_TOPOLOGY_CLUSTER_COUNT(A2)
Result:13
Topologicalindex
Function
MOLECULAR_TOPOLOGY_MOLECULAR_TOPOLOGICAL_INDEX(cellref)
Example
Incell:=MOLECULAR_TOPOLOGY_MOLECULAR_TOPOLOGICAL_INDEX(A2)
Result:1998
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Numberofrotatablebonds
Function
MOLECULAR_TOPOLOGY_NUM_ROTATABLE_BONDS(cellref)
Example
Incell:=MOLECULAR_TOPOLOGY_NUM_ROTATABLE_BONDS(A2)
Result:2
Polarsurfacearea
Function
MOLECULAR_TOPOLOGY_POLAR_SURFACE_AREA(cellref)
Example
Incell:=MOLECULAR_TOPOLOGY_POLAR_SURFACE_AREA(A2)
Result:17.07
Radius
Function
MOLECULAR_TOPOLOGY_RADIUS(cellref)
Example
Incell:=MOLECULAR_TOPOLOGY_RADIUS(A2)
Result:4
Shapeattribute
Function
MOLECULAR_TOPOLOGY_SHAPE_ATTRIBUTE(cellref)
Example
Incell:=MOLECULAR_TOPOLOGY_SHAPE_ATTRIBUTE(A2)
Result:11.076923
Shapecoefficient
Function
MOLECULAR_TOPOLOGY_SHAPE_COEFFICIENT(cellref)
Example
Incell:=MOLECULAR_TOPOLOGY_SHAPE_COEFFICIENT(A2)
Result:0
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Sumofdegrees
Function
MOLECULAR_TOPOLOGY_SUM_OF_DEGREES(cellref)
Example
Incell:=MOLECULAR_TOPOLOGY_SUM_OF_DEGREES(A2)
Result:28
Sumofvalencedegrees
Function
MOLECULAR_TOPOLOGY_SUM_OF_VALENCE_DEGREES(cellref)
Example
Incell:=MOLECULAR_TOPOLOGY_SUM_OF_VALENCE_DEGREES(A2)
Result:40
Topologicaldiameter
Function
MOLECULAR_TOPOLOGY_TOPOLOGICAL_DIAMETER(cellref)
Example
Incell:=MOLECULAR_TOPOLOGY_TOPOLOGICAL_DIAMETER(A2)
Result:7
Totalconnectivity
Function
MOLECULAR_TOPOLOGY_TOTAL_CONNECTIVITY(cellref)
Example
Incell:=MOLECULAR_TOPOLOGY_TOTAL_CONNECTIVITY(A2)
Result:0.009821
Totalvalenceconnectivity
Function
MOLECULAR_TOPOLOGY_TOTAL_VALENCE_CONNECTIVITY(cellref)
Example
Incell:=MOLECULAR_TOPOLOGY_TOTAL_VALENCE_CONNECTIVITY(A2)
Result:0.001157
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Wienerindex
Function
MOLECULAR_TOPOLOGY_WIENER_INDEX(cellref)
Example
Incell:=MOLECULAR_TOPOLOGY_WIENER_INDEX(A2)
Result:249
MOLECULAR_NETWORKS_LOGP
Thepartitioncoefficientisaratioofconcentrationsofun-ionizedcompoundbetweentwosolutions.Thelogarithmof
theratiooftheconcentrationsoftheun-ionizedsoluteinthesolventsiscalledLogP.
Function
MOLECULAR_NETWORKS_LOGP(cellref)
Example
Incell:=MOLECULAR_NETWORKS_LOGP(A4)
Result:3.019
MOLECULAR_NETWORKS_LOGS
MOLECULAR_NETWORKS_LogSdeterminesthesolubilityofasubstance,measuredinmol/liter.
Function
MOLECULAR_NETWORKS_LOGS(cellref)
Example
Incell:=MOLECULAR_NETWORKS_LOGS(A4)
Result:-2.029
MOLECULAR_NETWORKS_PKa
MOLECULAR_NETWORKS_PKaisthenegativelogoftheaciddissociationconstantKa.Itdescribesthetendency
ofcompoundsorionstodissociateinsolution.
Function
MOLECULAR_NETWORKS_PKa(cellref)
Example
Incell:=MOLECULAR_NETWORKS_PKa(A4)
Result:14.834000
Predictingdruglikeness
UsingChemDraw/Excelfunctions,youcancreatecalculatorstodeterminethedrugliknenessofastructure.Youcan
calculatevaluesfor:theLipinskiruleoffive,Ghose,andCongreveruleofthree:
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