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:1160
Name:2,5-dimethylaniline
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.5-dimethylaniline
Labels:
CAS:95-78-3
InChi Code:InChI=1S/C8H11N/c1-6-3-4-7(2)8(9)5-6/h3-5H,9H2,1-2H3

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
-0.994174539

experimental value

-0.7583

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

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