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:949
Name:N-(3-bromophenyl)carbamimidic acid
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-Bromophenylurea
Labels:
CAS:2989-98-2
InChi Code:InChI=1S/C7H7BrN2O/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11)

Properties

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

ValueSource or prediction
2.09

experimental value

1.8782

Tab2.Model_2: logKoc (Training set)