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: | 1531 | |
|---|---|---|
| Name: | 6,7-dimethyl-1-(4-methylpentyl)naphthalene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.3 Dimethy-5(4methylpentyl) naphthalene | |
| Labels: | ||
| CAS: | 204256-07-5 | |
| InChi Code: | InChI=1S/C18H24/c1-13(2)7-5-8-16-9-6-10-17-11-14(3)15(4)12-18(16)17/h6,9-13H,5,7-8H2,1-4H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.055825461 |
experimental value |
| 0.9227 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID80698161 | US EPA CompTox Dashboard |