Retention of substituted indole compounds on RP-HPLC: Correlation with molecular connectivity indices and quantum chemical descriptors

The capacity factors (k') were determined by reversed phased high-performan ce liquid chromatography (RP-HPLC) on a C-18 column for 18 substituted indo les. The linear relationship between the (k') values and the percentage of the methanol in the eluent was tested for each compound. The molecular conn ectivity indices and quantum chemical parameters were calculated for the te sted chemicals and used to develop quantitative structure-retention relatio nships (QSRR). Results demonstrated that the molecular connectivity indices and quantum ch emical parameters could be used to predict the k' for all of the test compo unds, and the molecular connectivity indices MCI method was more accurate.