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: | 1519 | |
|---|---|---|
| Name: | 4-(7-methyloctyl)phenol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Phenol. 4-nonyl-. branched. | |
| Labels: | ||
| CAS: | 84852-15-3 | |
| InChi Code: | InChI=1S/C15H24O/c1-13(2)7-5-3-4-6-8-14-9-11-15(16)12-10-14/h9-13,16H,3-8H2,1-2H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.030825461 |
experimental value |
| -0.2019 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |