应用化学 ›› 1996, Vol. 0 ›› Issue (1): 34-37.

• 研究论文 • 上一篇    下一篇

三嗪类化合物溶解度参数及毒性构-效关系

廖宜勇1, 张文华1, 何艺兵1, 王连生1, 陆国元2, 赵焘南3   

  1. 1. 南京大学环境科学与工程系 南京 210093;
    2. 南京大学化学系 南京;
    3. 南京大学现代分析中心 南京
  • 收稿日期:1995-04-20 修回日期:1995-09-25 出版日期:1996-02-10 发布日期:1996-02-10
  • 基金资助:
    国家自然科学基金

Quantitative Structure-Activity Relationship of the Aqueous Solubility and Toxicity for Triazines

Liao Yiyong1, Zhang Wenhua1, He Yibing1, Wang Liansheng1, Lu Guoyuan2, Zhao Taonan3   

  1. 1. Department of Environmental Science & Engineering, Nanjing University, Nanjing 210093;
    2. Department of Chemistry & Engineering, Nanjing University, Nanjing;
    3. Center of Material Analysis,Nanjing University, Nanjing
  • Received:1995-04-20 Revised:1995-09-25 Published:1996-02-10 Online:1996-02-10

摘要: 测定了12种三嗪类化合物的水溶解度,辛醇水分配系数和对发光菌的毒性,并用分子连结性指数建立了预测三嗪类化合物的溶解度,辛醇水分配系数及对发光菌毒性的定量结构活性相关方程,其中10种化合物文献中未见报道。

关键词: 三嗪类化合物, 水溶解度, 辛醇/水分配系数, 结构-活性相关

Abstract: The solubility,octanol/water partition coefficients and toxicity to photobacterium phosphoreum of 12 triazines were determined.Based on molecular connectivity indices.quantitative structure-activity relationship equations were established to estimate the solubility,octanol/water partition coefficients and toxicity of triazines.

Key words: triazine, aqueous solubility, octanol/water partition coefficient, structure-activity relationship