Physicochemical Significance of Topological Parameters: Molecular Connectivity Index and Information Content: Part 2. Correlation Studies With Molar Refractivity and Lipophylicity
Anil Kumar Saxena · Quantitative Structure-Activity Relationships · 1995
Abstract The studies on physicochemical significance of molecular connectivity index (1χ, 2χv) have shown that connectivity indices correlate to a greater extent with MR than with hydrophobicity (π). In order to verify these results, a set of 183 compounds of different chemical classes viz. alcohols, amines, esters, hydrocarbons, ethers, carboxylic acids etc. was chosen. In the earlier studies on this set of compounds, molecular connectivity (1χ) had been found to correlate with Log P. The correlation of valence molecular connectivity (1χ) with MR and Log P has been studied where MR showed better correlation with 2χv than Log P. The comparative correlation studies of 1χ with Log P and MR has also been carried out where 1χ shows better correlation with MR than with Log P for the total set of 183 compounds.