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:390
Name:tetrachloromethane
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Methane. tetrachloro-
Labels:
CAS:56-23-5
InChi Code:InChI=1S/CCl4/c2-1(3,4)5

Properties

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

ValueSource or prediction
1.85

experimental value

2.1758

Tab2.Model_2: logKoc (Training set)

M3.GHLI: Global half-life index i

ValueSource or prediction
2.68194

experimental value

1.8449

Tab2.Model_3: Global half-life index (Training set)

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
-1.194174539

experimental value

-0.1946

Tab2.Model_5: Metab. biotransf. fish (Training set)

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