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: | 1235 | |
|---|---|---|
| Name: | O-3-chloro-4-nitrophenyl O,O-dimethyl phosphorothioate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-Chloro-dimethyl parathion The representation of nitro groups was fixed | |
| Labels: | ||
| CAS: | 500-28-7 | |
| InChi Code: | InChI=1S/C8H9ClNO5PS/c1-13-16(17,14-2)15-6-3-4-8(10(11)12)7(9)5-6/h3-5H,1-2H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.469174539 |
experimental value |
| 0.2448 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |