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本文报告了13个取代氮杂环化合物对大型蚤的急性毒性,应用线性溶解能关系及分子连接性指数两种方法得出了该类化合物的定量构效关系方程,这些方程可以用来进行该类化合物危害性评价的初评。研究表明,分子体积和偶极性-极化性是该类化合物毒性的主要影响因素,增大分子体积及减小偶极性-极化性均可增大该类化合物的毒性。
In this paper, we report the acute toxicity of 13 substituted azacyclic compounds to Daphnia magna. The quantitative structure-activity relationship equations of these compounds were obtained by using the linear solvency relationship and the molecular connectivity index. These equations can be used for the Preliminary Evaluation of the Hazard Evaluation of Analogues. Studies have shown that the molecular size and dipolar polarization are the main influencing factors of the toxicity of these compounds. Increasing the molecular volume and decreasing the dipolar polarization can increase the toxicity of these compounds.