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: | 877 | |
|---|---|---|
| Name: | ethoxy-ethyl-phenylsulfanyl-sulfanylidenephosphorane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Fonofos | |
| Labels: | ||
| CAS: | 944-22-9 | |
| InChi Code: | InChI=1S/C10H15OPS2/c1-3-11-12(13,4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3/t12-/m0/s1 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.32 |
experimental value |
| 3.4498 |
Tab2.Model_2: logKoc (Training set) |