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: | 951 | |
|---|---|---|
| Name: | O,O-diethyl O-4-(methylsulfanyl)phenyl phosphorothioate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Fensulfothion sulfide | |
| Labels: | ||
| CAS: | 3070-15-3 | |
| InChi Code: | InChI=1S/C11H17O3PS2/c1-4-12-15(16,13-5-2)14-10-6-8-11(17-3)9-7-10/h6-9H,4-5H2,1-3H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.18 |
experimental value |
| 3.6895 |
Tab2.Model_2: logKoc (Training set) |