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: | 1079 | |
|---|---|---|
| Name: | O,O-diethyl {[(2-methylpropane-2-sulfonyl)methyl]sulfanyl}phosphonothioate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Terbufos sulfone | |
| Labels: | ||
| CAS: | 56070-16-7 | |
| InChi Code: | InChI=1S/C9H21O4PS3/c1-6-12-14(15,13-7-2)16-8-17(10,11)9(3,4)5/h6-8H2,1-5H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.18 |
experimental value |
| 2.5113 |
Tab2.Model_2: logKoc (Training set) |