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:1987
Name:1,1-dichloro-1,2,2,2-tetrafluoroethane
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 1,1-Dichlorotetrafluoroethane
Labels:
CAS:374-07-2
InChi Code:InChI=1S/C2Cl2F4/c3-1(4,5)2(6,7)8

Properties

M15.logSw: Water solubility as log(Sw) [log(mg/L)]

ValueSource or prediction
2.14

experimental value

1.1518

Tab2.Model_15: PFC solubility in water (Training set)

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