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:Tab2-4
Name:(4-Hydroxyphenyl)-phenylmethanone
Description:
Labels:
CAS:
InChi Code:InChI=1S/C13H10O2/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,14H

Properties

E7: Redox potential [V] i

ValueSource or prediction
1.12

experimental value

0.99

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

1.05

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