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The IC50 values of 20 nitroaromatics were determined by the activity of ATPase of carp ( Cyprinus carpio ) kidney in vitro, and used to develop the quantitative structure activity relationship (QSAR) with 6 descriptors of 1Xv, Σσ-, I , 1Ka , ELUMO , log P . A best equation was obtained by multiple regression analysis -log IC50 =1.306 Σσ-+0 657I +0.584ELUMO +2.852( r =0.925). Σσ- is the sum of substituent constants. I is the indicator variable. ELUMO is the energy of the lowest unoccupied orbital. Results showed that the Σσ-, I and ELUMO were closely correlated with toxicity of nitroaromatics. Some toxicity mechanisms by nitroaromatics are also discussed in this paper.
