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: | 1404 | |
|---|---|---|
| Name: | 1-ethenyl-3-ethylbenzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Benzene. ethenylethyl- | |
| Labels: | ||
| CAS: | 28106-30-1 | |
| InChi Code: | InChI=1S/C10H12/c1-3-9-6-5-7-10(4-2)8-9/h3,5-8H,1,4H2,2H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.160825461 |
experimental value |
| 0.3383 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |