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Predicted properties of the compound entered.

ID QJYFTHQNBKIXOU-MEFGMAGPSA-N
Formula C22H26ClN7O2
IUPAC Name N-[6-({[(Z)-[(2-chloro-5-methylphenyl)(1-methyl-1H-1,2,3,4-tetrazol-5-yl)methylidene]amino]oxy}methyl)pyridin-2-yl]hexanamide
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C22H26ClN7O2/c1-4-5-6-10-20(31)25-19-9-7-8-16(24-19)14-32-27-21(22-26-28-29-30(22)3)17-13-15(2)11-12-18(17)23/h7-9,11-13H,4-6,10,14H2,1-3H3,(H,24,25,31)/b27-21-
Standard InChIKey (User Input) InChIKey=QJYFTHQNBKIXOU-MEFGMAGPSA-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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