9H-Purine-6-propanamine
- 中文别名:4-(4-羟基苯基)-1(2H)-酞嗪酮 聚合 1,1\'-磺酰二 [4-氯苯]
- 中文释义:4-(4-羟基苯基)-1(2H)-酞嗪酮 聚合 1,1\'-磺酰二 [4-氯苯];3-(7H-purin-6-yl)propan-1-amine
- 英文别名:3-(7H-purin-6-yl)propan-1-amine;
1H-PURINE-6-PROPANAMINE;
9H-Purine-6-propanamine;
1H-Purine-6-propanamine(9CI)
- CAS No.:734493-17-5
- 分子式:C8H11N5
- 分子量:0
- 精确分子量:177.10100
- PSA:80.48000
- 分子结构式:
分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值(XlogP):-0.2
2.氢键供体数量:2
3.氢键受体数量:4
4.可旋转化学键数量:3
5.互变异构体数量:8
6.拓扑分子极性表面积:80.5
7.重原子数量:13
8.表面电荷:0
9.复杂度:163
10.同位素原子数量:0
11.确定原子立构中心数量:0
12.不确定原子立构中心数量:0
13.确定化学键立构中心数量:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:1
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