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: | 959 | |
|---|---|---|
| Name: | O,O-diethyl {[diethoxy(sulfanylidene)-λ⁵-phosphanyl]oxy}phosphonothioate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: TEDP | |
| Labels: | ||
| CAS: | 3689-24-5 | |
| InChi Code: | InChI=1S/C8H20O5P2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-8H2,1-4H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.66 |
experimental value |
| 2.8182 |
Tab2.Model_2: logKoc (Training set) |