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Predicted properties of the compound entered.

ID QKBVLHXCURNFRA-UHFFFAOYSA-N
Formula C23H20ClF2IN10O4
IUPAC Name 1-(3-chloropyridin-2-yl)-3-{[5-(difluoromethyl)-2H-1,2,3,4-tetrazol-2-yl]methyl}-N-{4-iodo-2-[N'-(methoxycarbonyl)-N'-methylhydrazinecarbonyl]-6-methylphenyl}-1H-pyrazole-5-carboxamide
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C23H20ClF2IN10O4/c1-11-7-12(27)8-14(21(38)33-35(2)23(40)41-3)17(11)29-22(39)16-9-13(10-36-32-19(18(25)26)30-34-36)31-37(16)20-15(24)5-4-6-28-20/h4-9,18H,10H2,1-3H3,(H,29,39)(H,33,38)
Standard InChIKey (User Input) InChIKey=QKBVLHXCURNFRA-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers
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Mol-Instincts Database
 
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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1H NMR prediction -
13C NMR prediction -
COSY -
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