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:Tab3-17
Name:2,2,5,7,8-Pentamethylchroman-6-ol
Description:
Labels:
CAS:
InChi Code:InChI=1S/C14H20O2/c1-8-9(2)13-11(10(3)12(8)15)6-7-14(4,5)16-13/h15H,6-7H2,1-5H3

Properties

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

ValueSource or prediction
0.62

experimental value

0.58

Eq12: Model for vitamin E derivatives (Training set)