Chain Length-Dependent Inhibition of Human and Rat Placental Aromatase by Benzalkonium Disinfectants: Experimental, Quantitative Structure–Activity Relationship, and In Silico Docking Insights

: C10 > C12 > C14 > C16 > C18) against human aromatase. 3D-QSAR pharmacophore modeling identified HY regions as critical for inhibition of human aromatase. Pharmacokinetics predictions indicated poor intestinal absorption for BAC-C16 and BAC-C18, while BAC-C12 and BAC-C14 showed better solubility. These findings highlight the structural dependence of BAC-mediated aromatase inhibition, with implications for endocrine disruption risk assessment.