Metronidazole (MTZ) is a nitroimidazole antimicrobial widely used to treat various anaerobic bacteria and protozoa infections. MTZ is a small lipophilic molecule with an oral bioavailability higher than 90 %. An analytical theoretical-experimental solvatochromic study of MTZ that improves its pharmacokinetics understanding has not been done yet. To this research, twelve pure solvents: two non-polar, six polar aprotic, four polar protic, and buffer pH 7.4 were chosen. The spectrophotometric study was performed with 1x10^-5 M MTZ solutions. The TD DFT B3LYP and CAMB3LYP with the PCM in its IEFPCM formalism and the 6-311+G(d,p) basis set were used to obtain the MTZ UV-Vis theoretical spectra. Kamlet and Taft, Catalán and Laurence multiparametric equations were utilized to analyze the effect of the solvent environment on MTZ. These analyses exhibit positive solvatochromism. The mayor Kamlet and Taft's relative contribution was from non-specific π interactions, accounting for 65 %. Catalán and Laurence equations showed that these non-specific contributions were mostly due to polarizability and dispersion forces (65 % SP and 72 % DI). While hydrogen-bond specific interactions were much less relevant: 35 % β, 16 % SB, and 20 % β₁. All calculated maximum wavelengths, which correspond to the electronic transitions of the second singlet states for MTZ, were from HOMO to LUMO. These results show that polarizability rises significantly in polar solvents, reflecting enhanced electron cloud distortion, besides the high polarity of MTZ. Greater polarizability typically correlates with increased permeability through biological membranes, as the molecule can interact more effectively with the lipid environment and adapt to changes in polarity between the aqueous medium and the lipid bilayer membrane. This evidence could explain the easy penetration of MTZ into the microorganism cell by passive diffusion.