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Predicted properties of the compound entered.

ID ABNZLQIGDLLQMS-SNVBAGLBSA-N
Formula C20H21Cl3N4O2
IUPAC Name 5-chloro-6-(2,4-dichloro-5-methylphenyl)-7-{[(2R)-3,3-dimethylbutan-2-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C20H21Cl3N4O2/c1-9-6-11(14(22)7-13(9)21)15-16(23)26-17-12(19(28)29)8-24-27(17)18(15)25-10(2)20(3,4)5/h6-8,10,25H,1-5H3,(H,28,29)/t10-/m1/s1
Standard InChIKey (User Input) InChIKey=ABNZLQIGDLLQMS-SNVBAGLBSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers
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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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13C NMR prediction -
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HSQC/HMBC prediction -
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