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Experiment stands corrected: accurate prediction of the aqueous pK(a) values of sulfonamide drugs using equilibrium bond lengths

We show here for the first time that strongly correlated linear relationships exist between equilibrium bond lengths of the sulfonamide group and aqueous pK(a) values. Models are constructed for three variants of the SO(2)NHR group: primary benzene sulfonamide derivatives (e.g. diuretic drugs furose...

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Detalles Bibliográficos
Autores principales:	Caine, Beth A., Bronzato, Maddalena, Popelier, Paul L. A.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Royal Society of Chemistry 2019
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6601425/ https://www.ncbi.nlm.nih.gov/pubmed/31341593 http://dx.doi.org/10.1039/c9sc01818b

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