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:720
Name:N,N-dimethyl-N'-phenylcarbamimidic acid
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Fenuron
Labels:
CAS:101-42-8
InChi Code:InChI=1S/C9H12N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12)

Properties

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

ValueSource or prediction
1.4

experimental value

1.7409

Tab2.Model_2: logKoc (Training set)