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: | 1368 | |
|---|---|---|
| Name: | (2R)-1-chloropropan-2-yl bis[(2S)-1-chloropropan-2-yl] phosphate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Propanol. 1-chloro-. phosphate (3:1) | |
| Labels: | ||
| CAS: | 13674-84-5 | |
| InChi Code: | InChI=1S/C9H18Cl3O4P/c1-7(4-10)14-17(13,15-8(2)5-11)16-9(3)6-12/h7-9H,4-6H2,1-3H3/t7-,8-,9+/m0/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -1.309174539 |
experimental value |
| -0.5315 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |