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Predicted properties of the compound entered.

ID GFJJSFPOGAREPT-UHFFFAOYSA-N
Formula C22H16Cl3N7O3S
IUPAC Name 4-[6-amino-4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-2,5-dichlorobenzene-1-sulfonic acid
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C22H16Cl3N7O3S/c1-10-17(20(25)31(29-10)12-6-4-3-5-7-12)19-18-11(2)30-32(21(18)28-22(26)27-19)15-8-14(24)16(9-13(15)23)36(33,34)35/h3-9H,1-2H3,(H2,26,27,28)(H,33,34,35)
Standard InChIKey (User Input) InChIKey=GFJJSFPOGAREPT-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers
For more property data (~2,100 data sets per compound) with higher accuracy , try our new database.
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Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
Acentric Factor - - -
Critical Compressibility Factor - - -
Critical Pressure - - -
Critical Temperature - - -
Critical Volume - - -
Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
Polarizability - - -
Flash Point - - -
Parachor - - -
Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
Upper Flammability Limit Temperature - - -
Upper Flammability Limit Volume Percent - - -
Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
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Additional Information Link
1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
All prediction -