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: | 1349 | |
|---|---|---|
| Name: | 2,6-bis[(2R)-butan-2-yl]phenol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.6-di-sec-butylphenol | |
| Labels: | ||
| CAS: | 5510-99-6 | |
| InChi Code: | InChI=1S/C14H22O/c1-5-10(3)12-8-7-9-13(14(12)15)11(4)6-2/h7-11,15H,5-6H2,1-4H3/t10-,11-/m1/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.219174539 |
experimental value |
| -0.288 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |