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: | 1398 | |
|---|---|---|
| Name: | 2,2,5,7-tetramethyl-1,2,3,4-tetrahydronaphthalene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.2.5.7-tetramethyltetraline | |
| Labels: | ||
| CAS: | 23342-25-8 | |
| InChi Code: | InChI=1S/C14H20/c1-10-7-11(2)13-5-6-14(3,4)9-12(13)8-10/h7-8H,5-6,9H2,1-4H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.320825461 |
experimental value |
| 0.8568 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID80177901 | US EPA CompTox Dashboard |