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: | 1283 | |
|---|---|---|
| Name: | (2S)-2-ethylhexyl diphenyl phosphate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Phosphoric acid. 2-ethylhexyl diphenyl ester | |
| Labels: | ||
| CAS: | 1241-94-7 | |
| InChi Code: | InChI=1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3/t18-/m0/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.149174539 |
experimental value |
| 0.0144 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |