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: | 971 | |
|---|---|---|
| Name: | dimethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxyphosphorane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Chlorpyrifos methyl | |
| Labels: | ||
| CAS: | 5598-13-0 | |
| InChi Code: | InChI=1S/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.52 |
experimental value |
| 3.3326 |
Tab2.Model_2: logKoc (Training set) |