10967/177 - QDB Compounds

QsarDB Repository

Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

ID:654
Name:trichloro(fluoro)methane
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Trichlorofluoromethane
Labels:
CAS:75-69-4
InChi Code:InChI=1S/CCl3F/c2-1(3,4)5

Properties

M2.logKoc: Soil sorption coefficient as log(Koc) i

ValueSource or prediction
2.2

experimental value

1.2598

Tab2.Model_2: logKoc (Training set)

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