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: | 1543 | |
|---|---|---|
| Name: | 1-octylpyrene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1-octylpyrene | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C24H26/c1-2-3-4-5-6-7-9-18-12-13-21-15-14-19-10-8-11-20-16-17-22(18)24(21)23(19)20/h8,10-17H,2-7,9H2,1H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 1.260825461 |
experimental value |
| 0.7127 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID80559900 | US EPA CompTox Dashboard |