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: | 1288 | |
|---|---|---|
| Name: | 1,4-diethyl (2R)-2-[(dimethoxyphosphoryl)sulfanyl]butanedioate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Malaoxon | |
| Labels: | ||
| CAS: | 1634-78-2 | |
| InChi Code: | InChI=1S/C10H19O7PS/c1-5-16-9(11)7-8(10(12)17-6-2)19-18(13,14-3)15-4/h8H,5-7H2,1-4H3/t8-/m1/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -1.039174539 |
experimental value |
| -1.1736 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |