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:1528
Name:3,5-dichloro-N-[(3R)-1-chloro-3-methyl-2-oxopentan-3-yl]-4-methylbenzene-1-carboximidic acid
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Zoxamide
Labels:
CAS:156052-68-5
InChi Code:InChI=1S/C14H16Cl3NO2/c1-4-14(3,12(19)7-15)18-13(20)9-5-10(16)8(2)11(17)6-9/h5-6H,4,7H2,1-3H3,(H,18,20)/t14-/m1/s1

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
0.160825461

experimental value

0.128

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