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: | 1354 | |
|---|---|---|
| Name: | 1,4-dimethyl-2-[(1S)-1-phenylethyl]benzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Benzene. 1.4-dimethyl-2-(1-phenylethyl)- | |
| Labels: | ||
| CAS: | 6165-51-1 | |
| InChi Code: | InChI=1S/C16H18/c1-12-9-10-13(2)16(11-12)14(3)15-7-5-4-6-8-15/h4-11,14H,1-3H3/t14-/m0/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.100825461 |
experimental value |
| 1.0787 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |