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: | 999 | |
|---|---|---|
| Name: | O,O-diethyl O-4-methanesulfonylphenyl phosphorothioate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Fensulfothion sulfone | |
| Labels: | ||
| CAS: | 14255-72-2 | |
| InChi Code: | InChI=1S/C11H17O5PS2/c1-4-14-17(18,15-5-2)16-10-6-8-11(9-7-10)19(3,12)13/h6-9H,4-5H2,1-3H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.17 |
experimental value |
| 2.9158 |
Tab2.Model_2: logKoc (Training set) |