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:1122
Name:N-(4-ethoxyphenyl)ethanimidic acid
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Acetamide. N-(4-ethoxyphenyl)-
Labels:
CAS:62-44-2
InChi Code:InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
-0.549174539

experimental value

-1.0134

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