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: | 1311 | |
|---|---|---|
| Name: | O,O-diethyl {[2-(ethanesulfonyl)ethyl]sulfanyl}phosphonothioate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Disulfoton sulfone | |
| Labels: | ||
| CAS: | 2497-06-5 | |
| InChi Code: | InChI=1S/C8H19O4PS3/c1-4-11-13(14,12-5-2)15-7-8-16(9,10)6-3/h4-8H2,1-3H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.669174539 |
experimental value |
| -0.8222 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |