Specific molecular connectivity analysis of pesticides and related compounds: a preliminary study

Molecular connectivity is a measure of extent of molecular branching. In this report the authors calculate molecular connectivity values of representative presticides and their related compounds and compare them with the data of the uptake by cultured human cells and of the binding to cell proteins reported previously. It can be found that the ratio of the zero-order molecular connectivity index to an information concerning the molecular size will serve as a useful measure for predicting a hazardous property of environmental chemicals. This novel index is termed as specific molecular connectivity.