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: | 1400 | |
|---|---|---|
| Name: | 2-methylphenyl diphenyl phosphate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Phosphoric acid. methylphenyl diphenyl ester | |
| Labels: | ||
| CAS: | 26444-49-5 | |
| InChi Code: | InChI=1S/C19H17O4P/c1-16-10-8-9-15-19(16)23-24(20,21-17-11-4-2-5-12-17)22-18-13-6-3-7-14-18/h2-15H,1H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.269174539 |
experimental value |
| 0.1248 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |