Although we are aware of the molecular complexity of the species that can be included in the computational determination of the apparent ionic partition (P I app ), parameterization or training of models using experimental values of P I app can help alleviate the restricted application of formalisms that include this effect. Finally, our findings can serve as guidance to the scientific community working in early-stage drug design, food, and environmental chemistry who deal with ionizable molecules, to determine a priori which lipophilicity profile should be used depending on the structure of a substance in research efforts. Future studies will address the influence played by the apparent ionic partition (P I app ) on the pH-dependent lipophilic profiles in more complex systems such as zwitterionic and peptides.