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:Tab1-26
Name:Benzene-1,2-diol
Description:
Labels:
CAS:
InChi Code:InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H

Properties

E7: Redox potential [V] i

ValueSource or prediction
0.53

experimental value

0.65

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

0.59

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

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