title: Quantitative structure-activity relationship study of the biophysicochemical behavior of nitrosamine.
abstract: 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.
authors.affiliation: Departamento de Química Fisica, Facultad de Química, Universidad de Salamanca, Spain.
authors.forename: A
authors.initials: A
authors.lastname: Vera
authors.forename: M
authors.initials: M
authors.lastname: Montes
authors.forename: J L
authors.initials: JL
authors.lastname: Usero
authors.forename: J
authors.initials: J
authors.lastname: Casado
mesh_terms: 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
chemical_list: D009602:Nitrosamines