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:988
Name:2-(Carbomethoxyamino)benzimidazole
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Carbendazim (MBC)
Labels:
CAS:10605-21-7
InChi Code:InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)

Properties

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

ValueSource or prediction
2.35

experimental value

1.1469

Tab2.Model_2: logKoc (Training set)

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