Abstract
A simple regression analysis was performed on GC‐ and HPLC‐relative retention times (HPLC‐RRTs) and log K OA polychlorinated naphthalenes (PCNs), by using molecular geometrical, electrical, and topological descriptors. For PCN congeners, there was a close correlation between GC‐RRTs and the number of chlorine atoms. On the other hand, for PCN isomers, a significant linear correlation was found between GC‐RRTs and molecular descriptors, such as QH (summation of the charges of hydrogen atoms) and 3 X— 3 X V (the difference between Randic's and Kier and Hall's third‐order connectivity index) classified according to the number of the adjacent position of chlorine atoms bound to the naphthalene skeleton.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
