Abstract: This paper presents a mechanistic analysis of aquatic toxicity data, quantified as pIGC(50) assessed in the 40 h Tetrahymena pyriformis population growth impairment assay, for 40 polyhydroxybenzene derivatives. The toxicity trends of these phenolic compounds have been shown to be consistent with mechanistic organic chemistry principles. Thus, it is shown that ...

Abstract: The aim of this study was to develop quantitative structure-activity relationships for the toxicity to Tetrahymena pyriformis of 30 substituted poly-hydroxylated benzenes. Physico-chemical descriptors for the expression of free radical formation, associated with the OH moiety on the aromatic ring, were calculated. These included one-electron equilibrium constants ...