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:1166
Name:benzenesulfonamide
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Benzenesulfonamide
Labels:
CAS:98-10-2
InChi Code:InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
-0.709174539

experimental value

-1.657

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

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