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:Tab1-11
Name:1-(2,4-Dihydroxyphenyl)ethanone
Description:
Labels:
CAS:
InChi Code:InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3

Properties

E7: Redox potential [V] i

ValueSource or prediction
0.89

experimental value

1

Eq4: Model for phenoxyl radicals with 3 descriptors (Training set)

0.9

Eq6: Model for phenoxyl radicals with 4 descriptors (Training set)

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