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:1095
Name:(E)-[(4-chlorophenyl)methylidene][(methyl-C-hydroxycarbonimidoyl)oxy]amine
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 4-Chlorobenzaloxime-N-methylcarbamate
Labels:
CAS:71059-53-5
InChi Code:InChI=1S/C9H9ClN2O2/c1-11-9(13)14-12-6-7-2-4-8(10)5-3-7/h2-6H,1H3,(H,11,13)/b12-6+

Properties

M2.logKoc: Soil sorption coefficient as log(Koc) i

ValueSource or prediction
2

experimental value

2.3397

Tab2.Model_2: logKoc (Training set)