Quantitative structure-activity relationship study of the biophysicochemical behavior of nitrosamine.
The partition coefficients of 14 aliphatic nitrosamines were measured in six water-organic solvent systems. Correlations between Hansch's hydrophobic parameter (pi) and Kier and Hall's topological index (1 chi) allowed pi to be substituted by 1 chi in the structure-activity correlations of the carcinogenicity data of the nitrosamines studied. The use of high-performance liquid chromatographic capacity factors of nitrosamines in these correlations is also discussed.
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Departamento de Química Fisica, Facultad de Química, Universidad de Salamanca, Spain.
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D055598:Chemical Phenomena; D002627:Chemistry, Physical; D008432:Mathematical Computing; D009602:Nitrosamines / Q000737:chemistry* / Q000494:pharmacology; D011237:Predictive Value of Tests; D012995:Solubility; D013329:Structure-Activity Relationship
D009602:Nitrosamines