Prediction of Log Kw Using Mcis and Lser Methods for Heterocyclic Nitrogen Compounds
نویسندگان
چکیده
The HPLC capacity factors(k’) measured on a C18 column, using methanol-water mobile phase of different compositions, were determined for 15 heterocyclic nitrogen compounds. The linear relationship between the log k’ values and the percentage of the methanol in the eluent was studied for each compound. The log kw' values of these compounds were obtained by extrapolating the retention data in binary solvent system to pure water eluent. Various MCI’s (molecular connectivity indices) were calculated and LSER(linear solvation energy relationship) parameters were observed for these compounds. Good correlations were established between MCI’s and log kw’, and between LSER parameters and log kw'. The present correlation can be used to predict log kw’ values for other derivatives.
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