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: | 1109 | |
|---|---|---|
| Name: | ethyl 2-({[(4-chloro-6-methoxypyrimidin-2-yl)-C-hydroxycarbonimidoyl]amino}sulfonyl)benzoate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Chlorimuron ethyl | |
| Labels: | ||
| CAS: | 90982-32-4 | |
| InChi Code: | InChI=1S/C15H15ClN4O6S/c1-3-26-13(21)9-6-4-5-7-10(9)27(23,24)20-15(22)19-14-17-11(16)8-12(18-14)25-2/h4-8H,3H2,1-2H3,(H2,17,18,19,20,22) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.04 |
experimental value |
| 2.571 |
Tab2.Model_2: logKoc (Training set) |