The relative potencies of a series of substituted anilines as acetyl acceptors in the enzymatic N‐acetylation reaction have been correlated using physicochemical substituent constants (π, σ−), molecular connectivity indices (1χ, 1χv), and newly formulated information–theoretic topological indices (IC, SIC). Results indicate a predominant role of the topological steric parameters in determining the rates of the N‐acetyltransferase reaction.
- N‐Acetylation reaction—of substituted anilines, enzymatic acetyltransferase, rate determination using information–theoretic topological indices
- Topological indices—information–theoretic, rate determination of the N‐acetylation reaction, comparison with physicochemical constants and molecular connectivity indices, substituted anilines
- p‐Nitroaniline—determination of the N‐acetylation reaction, topological indices