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:1071
Name:N'-phenyl-N-(1,2,3-thiadiazol-5-yl)carbamimidic acid
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Thidiazuron
Labels:
CAS:51707-55-2
InChi Code:InChI=1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)

Properties

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

ValueSource or prediction
2.02

experimental value

1.9151

Tab2.Model_2: logKoc (Training set)