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: | 1285 | |
|---|---|---|
| Name: | 1,3,5-tri-tert-butylbenzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1.3.5-tri-tert-butylbenzene | |
| Labels: | ||
| CAS: | 1460-02-2 | |
| InChi Code: | InChI=1S/C18H30/c1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18(7,8)9/h10-12H,1-9H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 2.700825461 |
experimental value |
| 1.254 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID50163255 | US EPA CompTox Dashboard |