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: | 1204 | |
|---|---|---|
| Name: | O,O-diethyl O-6-oxo-1-phenyl-1,6-dihydropyridazin-3-yl phosphorothioate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Phosphorothioic acid. O-(1.6-Dihydro-6-oxo-1-phenyl-3-pyridazinyl) O.O-diethyl ester | |
| Labels: | ||
| CAS: | 119-12-0 | |
| InChi Code: | InChI=1S/C14H17N2O4PS/c1-3-18-21(22,19-4-2)20-13-10-11-14(17)16(15-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.699174539 |
experimental value |
| -0.4137 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |