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: | 1314 | |
|---|---|---|
| Name: | ethyl (2S)-2-{[dimethoxy(sulfanylidene)-λ⁵-phosphanyl]sulfanyl}-2-phenylacetate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Fenthoate | |
| Labels: | ||
| CAS: | 2597-03-7 | |
| InChi Code: | InChI=1S/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(18,14-2)15-3/h5-9,11H,4H2,1-3H3/t11-/m0/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.749174539 |
experimental value |
| -0.6389 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |