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:Tab3-1
Name:2,2-Dimethylchroman-6-ol
Description:
Labels:
CAS:
InChi Code:InChI=1S/C11H14O2/c1-11(2)6-5-8-7-9(12)3-4-10(8)13-11/h3-4,7,12H,5-6H2,1-2H3

Properties

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

ValueSource or prediction
-0.39

experimental value

-0.12

Eq12: Model for vitamin E derivatives (Training set)