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: | 995 | |
|---|---|---|
| Name: | ethyl bis(propylsulfanyl)phosphinate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Ethoprophos | |
| Labels: | ||
| CAS: | 13194-48-4 | |
| InChi Code: | InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.82 |
experimental value |
| 2.1201 |
Tab2.Model_2: logKoc (Training set) |