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: | 1296 | |
|---|---|---|
| Name: | (2,3-dimethyl-3-phenylbutan-2-yl)benzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Benzene. 1.1'-(1.1.2.2-tetramethyl-1.2-ethanediyl)bis- | |
| Labels: | ||
| CAS: | 1889-67-4 | |
| InChi Code: | InChI=1S/C18H22/c1-17(2,15-11-7-5-8-12-15)18(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.870825461 |
experimental value |
| 1.2611 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |