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: | 1284 | |
|---|---|---|
| Name: | tris(4-methylphenyl) phosphate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Phosphoric acid. tris(methylphenyl) ester | |
| Labels: | ||
| CAS: | 1330-78-5 | |
| InChi Code: | InChI=1S/C21H21O4P/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21/h4-15H,1-3H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.550825461 |
experimental value |
| 0.2382 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |