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:Tab2-1
Name:3,5-Dichlorophenol
Description:
Labels:
CAS:
InChi Code:InChI=1S/C6H4Cl2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H

Properties

E7: Redox potential [V] i

ValueSource or prediction
1.15

experimental value

1.05

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

1.07

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

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