Abstract: c_I50 values of 20 nitroaromatic compounds to the enzymatic activity of ATPase of carp gill and kidney were measured in vitro. The quantitative structure activity relationship (QSAR) studies were carried out with the -lg c_I50 values of 20 nitroaromatic compounds to the enzymatic activity of ATPase of carp gill and kidney using the octanol/water partition coefficients lg P, the first order valence molecular connectivity index ¹X^Ⅴ, the indicator variable I, the molecular shape index ¹ K_a, the sum of substituent constant ∑σ^-, and the energy of the lowest unoccupied orbital E_LUMOas variables. The results showed that the ∑σ^-, Iand E_LUMOwere closely correlated with toxicity of nitroaromatic compounds to ATPase of carp tissues, and yield satisfactory QSARs equation. Some toxicity mechanisms by nitroaromatics are also disscussed in this paper.

Key words: Nitroaromatic compounds, Carp, ATPase activity of gill and kidney, c _I50, QSARs