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Predictive correlations for the toxicity of alkyl- and halogen- substituted phenols
Toxicology letters (1985)
  • Terry W Schultz, University of Tennessee - Knoxville
  • G W Riggin
Abstract

The structure-activity relationships between toxicity (log BR), monitored as cell population growth, and the log 1-octanol/water partition coefficient (log Kow) for a series of 20 alkyl- and halogen-substituted phenols have been examined. The equation log BR = 0.9455 log Kow -1.9190 has been found to be an excellent linear model for these compounds. It explains 93.8% of the variability in toxicity. Subdivision of the tested derivatives based on substituent field electronic effects reveals that those with electron-releasing effects, e.g. methyl or ethyl groups, are slightly less toxic than those with electron-withdrawing effects, e.g. halogen groups.

Publication Date
April, 1985
Citation Information
Terry W Schultz and G W Riggin. "Predictive correlations for the toxicity of alkyl- and halogen- substituted phenols" Toxicology letters Vol. 25 Iss. 1 (1985)
Available at: http://works.bepress.com/terry_schultz/136/