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:1006
Name:N-(1,3-benzothiazol-2-yl)-N,N'-dimethylcarbamimidic acid
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Methabenzthiazuron
Labels:
CAS:18691-97-9
InChi Code:InChI=1S/C10H11N3OS/c1-11-9(14)13(2)10-12-7-5-3-4-6-8(7)15-10/h3-6H,1-2H3,(H,11,14)

Properties

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

ValueSource or prediction
2.8

experimental value

2.2995

Tab2.Model_2: logKoc (Training set)