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: | 798 | |
|---|---|---|
| Name: | O,O-diethyl {[(ethylsulfanyl)methyl]sulfanyl}phosphonothioate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Phorate | |
| Labels: | ||
| CAS: | 298-02-2 | |
| InChi Code: | InChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.11 |
experimental value |
| 2.9636 |
Tab2.Model_2: logKoc (Training set) |