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: | 1307 | |
|---|---|---|
| Name: | 1-methylpyrene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1-methylpyrene | |
| Labels: | ||
| CAS: | 2381-21-7 | |
| InChi Code: | InChI=1S/C17H12/c1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13/h2-10H,1H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.110825461 |
experimental value |
| 0.2101 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0025654 | US EPA CompTox Dashboard |