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:1264
Name:2,4,6-trichloroaniline
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.4.6-trichloroaniline
Labels:
CAS:634-93-5
InChi Code:InChI=1S/C6H4Cl3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
0.670825461

experimental value

0.1264

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

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