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:Tab3-7
Name:5,​7-​Diethyl-​3,​4-​dihydro-​2,​2-​dimethyl-2H-​1-​benzopyran-​6-​ol
Description:
Labels:
CAS:
InChi Code:InChI=1S/C15H22O2/c1-5-10-9-13-12(11(6-2)14(10)16)7-8-15(3,4)17-13/h9,16H,5-8H2,1-4H3

Properties

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

ValueSource or prediction
0.28

experimental value

0.41

Eq12: Model for vitamin E derivatives (Training set)