Abstract
We wish to present an experimental and theoretical study for the estimation of p K a values of some 1-, 2- and 1,2-substituted indoles in aqueous solution by spectroscopic and semiempirical methods. The all possible tautomeric equilibria and conformers, if available, of the structures were considered to determine the most stable tautomers and conformers. The calculated p K a values were correlated with those found experimentally.
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