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:1193
Name:3-chloroaniline
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Benzenamine. 3-chloro-
Labels:
CAS:108-42-9
InChi Code:InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
-0.709174539

experimental value

-0.4416

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

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