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: | 1268 | |
|---|---|---|
| Name: | 2,4,6-tri-tert-butylphenol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Phenol. 2.4.6-tris(1.1-dimethylethyl)- | |
| Labels: | ||
| CAS: | 732-26-3 | |
| InChi Code: | InChI=1S/C18H30O/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 1.810825461 |
experimental value |
| 0.1016 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2021311 | US EPA CompTox Dashboard |