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:1227
Name:2,4-dichloro-1-(trifluoromethyl)benzene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.4-Dichloro-1-(trifluoromethyl)benzene
Labels:
CAS:320-60-5
InChi Code:InChI=1S/C7H3Cl2F3/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
1.810825461

experimental value

0.3019

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

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