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: | 1001 | |
|---|---|---|
| Name: | N'-(3-chloro-4-methylphenyl)-N,N-dimethylcarbamimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Chlorotoluron | |
| Labels: | ||
| CAS: | 15545-48-9 | |
| InChi Code: | InChI=1S/C10H13ClN2O/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.02 |
experimental value |
| 2.2159 |
Tab2.Model_2: logKoc (Training set) |