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:Tab2-3
Name:3-Nitrophenol
Description:
Labels:
CAS:
InChi Code:InChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H

Properties

E7: Redox potential [V] i

ValueSource or prediction
1.13

experimental value

1.13

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

1.15

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

Links to External Resources