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:1362
Name:1,2,2,3-tetrachloropropane
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Propane. 1.2.2.3-tetrachloro-
Labels:
CAS:13116-53-5
InChi Code:InChI=1S/C3H4Cl4/c4-1-3(6,7)2-5/h1-2H2

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
-0.279174539

experimental value

0.302

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

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