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: | 1302 | |
|---|---|---|
| Name: | octylbenzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: n-octyl benzene | |
| Labels: | ||
| CAS: | 2189-60-8 | |
| InChi Code: | InChI=1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.220825461 |
experimental value |
| 0.8716 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2062240 | US EPA CompTox Dashboard |