Acute toxicity and n-octanol/water partition coefficients of substituted thiophenols: determination and QSAR analysis.

@article{Shi2012AcuteTA,
  title={Acute toxicity and n-octanol/water partition coefficients of substituted thiophenols: determination and QSAR analysis.},
  author={J-Q Shi and Jie Ying Cheng and F-Y Wang and Alison Flamm and Z-Y Wang and Xianhai Yang and S-X Gao},
  journal={Ecotoxicology and environmental safety},
  year={2012},
  volume={78},
  pages={
          134-41
        }
}
The acute toxicity (-log EC(50)) to Photobacterium phosphoreum and the n-octanol/water partition coefficient (log K(ow)) of 31 kinds of substituted thiophenols were determined at 298.15K. The -log EC(50) values of studied chemicals are between 4.26 and 5.89. Their log K(ow) values are between 1.34 and 4.02. Comparative molecular field (CoMFA) and comparative molecular similarity index analysis (CoMSIA) models established were successful in predicting -log EC(50) and log K(ow) values of… CONTINUE READING

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