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:Tab2-9
Name:4-Phenylphenol
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H

Properties

E7: Redox potential [V] i

ValueSource or prediction
0.84

experimental value

0.79

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

0.81

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

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