Quantitative structure-activity relationships and mixture toxicity studies of chloro- and alkylanilines at an acute lethal toxicity level to the guppy (Poecilia reticulata)

Abstract

Quantitative structure-activity relationships (QSARs) were calculated for the acute lethal toxicities (14-day LC50) to the guppy (Poecilia reticulata) of anilines, with several hydrophobicity characteristics and the Hammett sigma constant as parameters. Calculated and experimental Poct values and II constants were used as hydrophobicity characteristics. Introduction of Hammett constants improved the quality of the QSARs. Together with the QSAR studies the toxicities of mixtures of the anilines were determined. The toxicities of three mixtures did not deviate from concentration addition.