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: | 1291 | |
|---|---|---|
| Name: | 1,2,3,6,7,8-hexahydropyrene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1.2.3.6.7.8 hexahydropyrene | |
| Labels: | ||
| CAS: | 1732-13-4 | |
| InChi Code: | InChI=1S/C16H16/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h7-10H,1-6H2 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.420825461 |
experimental value |
| 0.6841 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID60169541 | US EPA CompTox Dashboard |