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:Tab3-23
Name:Naphthotocopherol
Description:
Labels:
CAS:
InChi Code:InChI=1S/C31H48O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-31(6)21-19-26-25(5)29(32)27-17-7-8-18-28(27)30(26)33-31/h7-8,17-18,22-24,32H,9-16,19-21H2,1-6H3

Properties

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

ValueSource or prediction
1.55

experimental value

1.55

Eq12: Model for vitamin E derivatives (Training set)