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:Tab2-7
Name:3-Methylphenol
Description:
Labels:
CAS:
InChi Code:InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3

Properties

E7: Redox potential [V] i

ValueSource or prediction
0.85

experimental value

0.93

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

0.9

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

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