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:Tab1-25
Name:3,4-Dihydroxycinnamic acid
Description:
Labels:
CAS:
InChi Code:InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)

Properties

E7: Redox potential [V] i

ValueSource or prediction
0.54

experimental value

0.58

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

0.56

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

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