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Predicted properties of the compound entered.

ID GFDRMJKVOUSENS-UHFFFAOYSA-N
Formula C27H21ClF3N9O5
IUPAC Name 1-(3-chloropyridin-2-yl)-N-{4-cyano-2-[N'-(methoxycarbonyl)-N'-methylhydrazinecarbonyl]-6-methylphenyl}-3-({[6-(trifluoromethyl)pyridazin-3-yl]oxy}methyl)-1H-pyrazole-5-carboxamide
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C27H21ClF3N9O5/c1-14-9-15(12-32)10-17(24(41)38-39(2)26(43)44-3)22(14)34-25(42)19-11-16(37-40(19)23-18(28)5-4-8-33-23)13-45-21-7-6-20(35-36-21)27(29,30)31/h4-11H,13H2,1-3H3,(H,34,42)(H,38,41)
Standard InChIKey (User Input) InChIKey=GFDRMJKVOUSENS-UHFFFAOYSA-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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