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Predicted properties of the compound entered.

ID QJKAUAOIBZFZNZ-WEMUOSSPSA-N
Formula C24H25FN6O
IUPAC Name (E)-{[6-(3-cyclohexylprop-1-yn-1-yl)-3-fluoropyridin-2-yl]methoxy}[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)(phenyl)methylidene]amine
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C24H25FN6O/c1-31-24(27-29-30-31)23(19-12-6-3-7-13-19)28-32-17-22-21(25)16-15-20(26-22)14-8-11-18-9-4-2-5-10-18/h3,6-7,12-13,15-16,18H,2,4-5,9-11,17H2,1H3/b28-23+
Standard InChIKey (User Input) InChIKey=QJKAUAOIBZFZNZ-WEMUOSSPSA-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.
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 -
HSQC/HMBC prediction -
All prediction -