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: | 879 | |
|---|---|---|
| Name: | O,O-dimethyl ({[(4-chlorophenyl)sulfanyl]methyl}sulfanyl)phosphonothioate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Carbophenothion-methyl | |
| Labels: | ||
| CAS: | 953-17-3 | |
| InChi Code: | InChI=1S/C9H12ClO2PS3/c1-11-13(14,12-2)16-7-15-9-5-3-8(10)4-6-9/h3-6H,7H2,1-2H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 4.67 |
experimental value |
| 3.8091 |
Tab2.Model_2: logKoc (Training set) |