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: | 1367 | |
|---|---|---|
| Name: | 2-benzyl-1,4-dimethylbenzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Phenyl xylylmethane | |
| Labels: | ||
| CAS: | 13540-50-6 | |
| InChi Code: | InChI=1S/C15H16/c1-12-8-9-13(2)15(10-12)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.445825461 |
experimental value |
| 0.9791 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID10159331 | US EPA CompTox Dashboard |