As the MOLPROJ it is still a code under development, we will continue to seek in future works to evaluate better the effects of solvents on molecular orbitals. However, even considering that these compounds were computationally studied in an aqueous medium, without the appropriate experimentally applied solvents and compared to experimental results in different phases, we obtained 86% of correctness of the protonation sites using the developed software. We mean that 11 compounds (01, 02, 03, 04, 06, 07, 09, 10, 11, 12, 13) presented exact results when compared to the experimental results and the Hirshfeld and CHELPG charge methods.