10967/165 - QDB Compounds

QsarDB Repository

Lien, E. J.; Ren, S.; Bui, H.-H.; Wang, R. Quantitative structure-activity relationship analysis of phenolic antioxidants. Free Radic. Biol. Med. 1999, 26, 285–294.

Compound

ID:Tab3-6
Name:7-tert-Butyl-2,2-dimethylchroman-6-ol
Description:
Labels:
CAS:
InChi Code:InChI=1S/C15H22O2/c1-14(2,3)11-9-13-10(8-12(11)16)6-7-15(4,5)17-13/h8-9,16H,6-7H2,1-5H3

Properties

Log(ksx10^3): Logarithm of second-order rate constant [Log(M-1 S-1)] i

ValueSource or prediction
0.13

experimental value

0.05

Eq12: Model for vitamin E derivatives (Training set)