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: | 990 | |
|---|---|---|
| Name: | O,O-diethyl {[(tert-butylsulfanyl)methyl]sulfanyl}phosphonothioate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Terbufos | |
| Labels: | ||
| CAS: | 13071-79-9 | |
| InChi Code: | InChI=1S/C9H21O2PS3/c1-6-10-12(13,11-7-2)15-8-14-9(3,4)5/h6-8H2,1-5H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.82 |
experimental value |
| 3.4165 |
Tab2.Model_2: logKoc (Training set) |