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:1220
Name:4-ethoxyaniline
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Benzenamine. 4-ethoxy-
Labels:
CAS:156-43-4
InChi Code:InChI=1S/C8H11NO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2,9H2,1H3

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
-1.239174539

experimental value

-0.603

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

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