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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)]

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dc.date.accessioned 2012-05-23T16:13:45Z
dc.date.available 2012-05-23T16:13:45Z
dc.date.issued 2012-05-23
dc.identifier.uri http://hdl.handle.net/10967/85
dc.identifier.uri http://dx.doi.org/10.15152/QDB.85
dc.description.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.
dc.publisher Villu Ruusmann
dc.rights Attribution 4.0 International
dc.rights.uri http://creativecommons.org/licenses/by/4.0/
dc.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.
qdb.property.endpoint 6. Other (Acute toxicity to ciliate protozoa)
qdb.property.species Tetrahymena pyriformis
bibtex.entry article
bibtex.entry.author Dearden, J. C.
bibtex.entry.author Cronin, M. T. D.
bibtex.entry.author Schultz, T. W.
bibtex.entry.author Lin, D. T.
bibtex.entry.doi 10.1002/qsar.19950140503
bibtex.entry.journal QSAR Comb. Sci.
bibtex.entry.number 5
bibtex.entry.pages 427–432
bibtex.entry.title QSAR Study of the Toxicity of Nitrobenzenes to Tetrahymena pyriformis
bibtex.entry.volume 14
bibtex.entry.year 1995


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