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: | 1317 | |
|---|---|---|
| Name: | 3,5-di-tert-butyl-[1,1'-biphenyl]-4-ol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: [1.1 -Biphenyl]-4-ol. 3.5-bis(1.1-dimethylethyl)- | |
| Labels: | ||
| CAS: | 2668-47-5 | |
| InChi Code: | InChI=1S/C20H26O/c1-19(2,3)16-12-15(14-10-8-7-9-11-14)13-17(18(16)21)20(4,5)6/h7-13,21H,1-6H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 1.160825461 |
experimental value |
| 0.2463 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |