化学学报 ›› 1996, Vol. 54 ›› Issue (12): 1145-1150.    下一篇

研究论文

有机化合物的疏水参数与拓扑指数相关性的研究

郭明;许禄   

  1. 中国科学院长春应用化学研究所
  • 出版日期:1996-12-15 发布日期:1996-12-15

Study on relationship between partition coefficient of compounds and topological indices

GUO MING;XU LU   

  • Online:1996-12-15 Published:1996-12-15

本文计算了50个芳烃类化合物的A~m指数与分子联接性指数, 并将其用于芳烃类化合物的结构与疏水参数lgP的相关性研究, 结果表明, 经改进的A~m指数能更好地反映这类化合物的结构特性。

关键词: 拓扑指数, 分子联接性指数, 芳香烃类化合物, 疏水参数

In this work, The A~m indices and the molecular connectivity indices of fifty aromatic compounds have been calculated, and applied for studying on relationship between partition coefficient and structure of aromatic compounds. The results demonstrate that the property of compounds can be descriped betterly with revisionary A~m indices.

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