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:1181
Name:N-ethylaniline
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: N-ethylaniline
Labels:
CAS:103-69-5
InChi Code:InChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
-0.649174539

experimental value

-0.3633

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

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