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
| Value | Source or prediction |
|---|---|
| 2.8 |
experimental value |
| 2.2995 |
Tab2.Model_2: logKoc (Training set) |