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:Tab3-20
Name:2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol
Description:
Labels:
CAS:
InChi Code:InChI=1S/C13H18O2/c1-7-8(2)12-10(9(3)11(7)14)6-13(4,5)15-12/h14H,6H2,1-5H3

Properties

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

ValueSource or prediction
0.84

experimental value

0.51

Eq12: Model for vitamin E derivatives (Training set)