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:Tab3-12
Name:7-tert-Butyl-2,2,5-trimethylchroman-6-ol
Description:
Labels:
CAS:
InChi Code:InChI=1S/C16H24O2/c1-10-11-7-8-16(5,6)18-13(11)9-12(14(10)17)15(2,3)4/h9,17H,7-8H2,1-6H3

Properties

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

ValueSource or prediction
0.37

experimental value

0.68

Eq12: Model for vitamin E derivatives (Training set)