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:1149
Name:[1,1'-biphenyl]-2-amine
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: O-aminobiphenyl
Labels:
CAS:90-41-5
InChi Code:InChI=1S/C12H11N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,13H2

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
-1.059174539

experimental value

-0.2044

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

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