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Predicted properties of the compound entered.

ID QKHOBALGLVCPIN-MIXUXINWSA-N
Formula C20H12F11N7O2S
IUPAC Name 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[4-({[(Z)-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)(phenyl)methylidene]amino]oxy}methyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C20H12F11N7O2S/c1-38-12(34-36-37-38)11(9-5-3-2-4-6-9)35-40-7-10-8-41-14(32-10)33-13(39)15(21)16(22,23)18(26,27)20(30,31)19(28,29)17(15,24)25/h2-6,8H,7H2,1H3,(H,32,33,39)/b35-11-
Standard InChIKey (User Input) InChIKey=QKHOBALGLVCPIN-MIXUXINWSA-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 -
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