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:1216
Name:N-phenylnaphthalen-2-amine
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: N-Phenyl-2-naphthylamine
Labels:
CAS:135-88-6
InChi Code:InChI=1S/C16H13N/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-12,17H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
-0.409174539

experimental value

0.3249

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

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