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:1026
Name:N-(3-chloro-4-methoxyphenyl)carbamimidic acid
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-Chloro-4-methoxyphenylurea
Labels:
CAS:25277-05-8
InChi Code:InChI=1S/C8H9ClN2O2/c1-13-7-3-2-5(4-6(7)9)11-8(10)12/h2-4H,1H3,(H3,10,11,12)

Properties

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

ValueSource or prediction
2

experimental value

1.9864

Tab2.Model_2: logKoc (Training set)