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: | 1382 | |
|---|---|---|
| Name: | 1-ethylpyrene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1-ethylpyrene | |
| Labels: | ||
| CAS: | 17088-22-1 | |
| InChi Code: | InChI=1S/C18H14/c1-2-12-6-7-15-9-8-13-4-3-5-14-10-11-16(12)18(15)17(13)14/h3-11H,2H2,1H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.240825461 |
experimental value |
| 0.2861 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |