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: | 1331 | |
|---|---|---|
| Name: | 2,4-di-tert-butyl-6-(5-chloro-2H-1,2,3-benzotriazol-2-yl)phenol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Phenol. 2-(5-chloro-2H-benzotriazol-2-yl)-4.6-bis(1.1-dimethylethyl)- | |
| Labels: | ||
| CAS: | 3864-99-1 | |
| InChi Code: | InChI=1S/C20H24ClN3O/c1-19(2,3)12-9-14(20(4,5)6)18(25)17(10-12)24-22-15-8-7-13(21)11-16(15)23-24/h7-11,25H,1-6H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.720825461 |
experimental value |
| 0.248 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4038893 | US EPA CompTox Dashboard |