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: | 1334 | |
|---|---|---|
| Name: | 2,6-di-tert-butyl-4-ethylphenol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Phenol. 2.6-bis(1.1-dimethylethyl)-4-ethyl- | |
| Labels: | ||
| CAS: | 4130-42-1 | |
| InChi Code: | InChI=1S/C16H26O/c1-8-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7/h9-10,17H,8H2,1-7H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.855825461 |
experimental value |
| -0.0792 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0029262 | US EPA CompTox Dashboard |