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:Tab2-5
Name:3-Cyanophenol
Description:
Labels:
CAS:
InChi Code:InChI=1S/C7H5NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H

Properties

E7: Redox potential [V] i

ValueSource or prediction
1.11

experimental value

1.08

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

1.08

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

Links to External Resources