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:Tab1-21
Name:3,4-Dihydroxybenzoic acid
Description:
Labels:
CAS:
InChi Code:InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)

Properties

E7: Redox potential [V] i

ValueSource or prediction
0.6

experimental value

0.67

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

0.66

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

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