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: | 1445 | |
|---|---|---|
| Name: | 2,7-bis(propan-2-yl)naphthalene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.7-diisopropyl naphthalene | |
| Labels: | ||
| CAS: | 40458-98-8 | |
| InChi Code: | InChI=1S/C16H20/c1-11(2)14-7-5-13-6-8-15(12(3)4)10-16(13)9-14/h5-12H,1-4H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.325825461 |
experimental value |
| 0.7551 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |