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:1228
Name:1,2-dichloro-4-(trifluoromethyl)benzene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 3.4-dichlorobenzotrifluoride
Labels:
CAS:328-84-7
InChi Code:InChI=1S/C7H3Cl2F3/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
1.520825461

experimental value

0.3133

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

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