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: | 1329 | |
|---|---|---|
| Name: | (2S)-2-methoxy-2,4-dihydro-1,3,2λ⁵-benzodioxaphosphinine-2-thione | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Salithion | |
| Labels: | ||
| CAS: | 3811-49-2 | |
| InChi Code: | InChI=1S/C8H9O3PS/c1-9-12(13)10-6-7-4-2-3-5-8(7)11-12/h2-5H,6H2,1H3/t12-/m0/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -1.149174539 |
experimental value |
| -0.061 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |