This research provides a baseline tool to detect, predict and scientifically evaluate the toxic environmental impact generated by chemical substances that are categorized as emerging contaminants (ECs) with endocrine disruptive action. The present study was carried out in five effluents of wastewater produced by urban and rural settlements of the coastal zone of Cihuatlan, Jalisco. Five compounds, considered ECs and that act as endocrine disruptors, were analyzed: Diclofenac, Ibuprofen, Ketorolac, Pentachlorophenol (PCP), and Estradiol. The toxicity level (TEQ) of the ECs is estimated by a Quantitative Structure-Activity Relationship (QSAR) analysis, evaluating their concentration and assessing the risk involved in the incorporation of each one into the environment. The presence of the ECs was confirmed in all the studied sites. It was attested that the concentrations of pollutants Diclofenac, Ibuprofen, Ketorolac, and Pentachlorophenol were within the toxic range, whereas the compound Estradiol was found in concentrations that represent a high toxicity in the same effluents. This research recognizes that the analysis of the physicochemical properties of substances allows for predicting whether a contaminant is likely to act and persist in the environment and, in turn, bioaccumulate in organisms.