Prediction of log K(w) using MCIs and LSER methods for heterocyclic nitrogen compounds

Li Li, Hong Yang, Yanbing Ding, Liansheng Wang, Zheng Zhang

Research output: Contribution to journalArticlepeer-review

4 Scopus citations


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 k(w)' 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 k(w)', and between LSER parameters and log k(w)'. The present correlation can be used to predict log k(w)' values for other derivatives.

Original languageEnglish (US)
Pages (from-to)897-907
Number of pages11
JournalJournal of Liquid Chromatography and Related Technologies
Issue number6
StatePublished - 1999

All Science Journal Classification (ASJC) codes

  • Analytical Chemistry
  • Biochemistry
  • Pharmaceutical Science
  • Clinical Biochemistry


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