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Dearden, J.C.; Cronin, M.T.D.; Schultz, T.W.; Lin, D.T. QSAR Study of the Toxicity of Nitrobenzenes to Tetrahymena pyriformis. QSAR Comb. Sci. 1995, 14, 5, 427–432.

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Dearden, J.C.; Cronin, M.T.D.; Schultz, T.W.; Lin, D.T. QSAR Study of the Toxicity of Nitrobenzenes to Tetrahymena pyriformis. QSAR Comb. Sci. 1995, 14, 5, 427–432.

QDB archive DOI: 10.15152/QDB.85   DOWNLOAD

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Property pIGC50: 48-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]

Compounds: 47 | Models: 0 | Predictions: 0

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Title: Dearden, J.C.; Cronin, M.T.D.; Schultz, T.W.; Lin, D.T. QSAR Study of the Toxicity of Nitrobenzenes to Tetrahymena pyriformis. QSAR Comb. Sci. 1995, 14, 5, 427–432.
Abstract: A QSAR analysis has been carried out of the toxicity of 47 mono-substituted nitrobenzenes to the aquatic ciliate Tetrahymena pyriformis. The single most important parameter was the logarithm of the apparent partition coefficient (logD) at pH 7.35. 2- and 3-derivatives yielded an excellent correlation of toxicity with log D, Swain-Lupton field parameter and modulus of change of charge on the nitro group oxygen upon substitution. This is consistent with their behaving as pro-electrophiles. 4-derivatives, however, clearly had a different mode of action, with the best correlation being found with log D, molar refractivity and the Shannon index.
URI: http://hdl.handle.net/10967/85
http://dx.doi.org/10.15152/QDB.85
Date: 2012-05-23


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