[Study on the relationship between the structure of chlorobenzenes and their toxicity to guppy].
The quantum chemical indexes of 12 chlorobenzenes were calculated by CNDO/2 method. Quantitative structure-activity relationship between the quantum chemical indexes of chlorobenzenes and their toxicity to Guppy was calculated by step regression analysis. The linear correlation equation is as follows: DLC50 = -0.15 + 6.865 sigma QR, n = 12, R = 0.9867 s = 0.15, F = 367.64. Results showed that the toxicity of chlorobenzenes to the aquatic Guppy are increased as the increase of their ability to accept electrons.
Luo
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Department of Natural Pharmaceuticals, Sun Yat-sen University of Medical Sciences, Guangzhou 510089, China.
Xu
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X
D000818:Animals; D002722:Chlorobenzenes / Q000737:chemistry / Q000633:toxicity*; D011036:Poecilia; D013329:Structure-Activity Relationship
D002722:Chlorobenzenes