Quaternary ammonium salts are due to their use in everyday life widespread, with their properties widely studied. Recently is more and more emphasized their toxic effect on people as well on other organisms. Not much is known about toxicity of quaternary decylammonium chlorides, additionally we do not know how functionalization of a side alkyl chain on nitrogen affects it. We studied five differently functionalized quaternary decylammonium chlorides: N-decyl-N,N,N-trimethylammonium chloride, N-(2-hydroxyethyl)-N-decyl-N,N-dimethylammonium chloride, N-(2-metoxyethyl)-N-decyl-N,N-dimethylammonium chloride, N-(2-(2-metoxyethoxy)ethyl)-N-decyl-N,N-dimethylammonium chloride in N-(2-ethoxy-2-oxoethyl)-N-decyl-N,N-dimethylammonium chloride. In the case of five different species of mould as our model eukaryotic organism we have determined minimal inhibition and minimal fungicide concentration of aqueous solutions. With density functional theory we calculated n-octanol-water partition coefficient, which served us as a measure of lipophilicity. At the end we performed molecular docking of studied compounds on seven different enzymes that are important for activity of model organisms.
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