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: | 1097 | |
|---|---|---|
| Name: | methyl 2-({[(4,6-dimethylpyrimidin-2-yl)-C-hydroxycarbonimidoyl]amino}sulfonyl)benzoate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Sulfometuron-Methyl | |
| Labels: | ||
| CAS: | 74222-97-2 | |
| InChi Code: | InChI=1S/C15H16N4O5S/c1-9-8-10(2)17-14(16-9)18-15(21)19-25(22,23)12-7-5-4-6-11(12)13(20)24-3/h4-8H,1-3H3,(H2,16,17,18,19,21) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.8 |
experimental value |
| 2.2703 |
Tab2.Model_2: logKoc (Training set) |