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: | 1163 | |
|---|---|---|
| Name: | 2,4-di-tert-butylphenol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Phenol. 2.4-bis(1.1-dimethylethyl)- | |
| Labels: | ||
| CAS: | 96-76-4 | |
| InChi Code: | InChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.369174539 |
experimental value |
| -0.2878 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2026602 | US EPA CompTox Dashboard |