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:1245
Name:N-methyl-N-phenylacetamide
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: N-methylacetanilide
Labels:
CAS:579-10-2
InChi Code:InChI=1S/C9H11NO/c1-8(11)10(2)9-6-4-3-5-7-9/h3-7H,1-2H3

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
-1.124174539

experimental value

-0.9713

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

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