计算化学数据
Computational chemical data
1.疏水参数计算参考值（XlogP）:无
1. Hydrophobic parameter calculation reference value (XlogP): none
2.氢键供体数量:0
2. Number of hydrogen-bonded donors: 0
3.氢键受体数量:1
3. Number of hydrogen bond receptors: 1
4.可旋转化学键数量:0
4. Number of revolvable chemical bonds: 0
5.互变异构体数量:无
5. Number of tautomers: none
6.拓扑分子极性表面积23.8
6. Topological Molecular Polarity Area 23.8
7.重原子数量:2
7. Number of heavy atoms: 2
8.表面电荷:0
8. Surface charge: 0
9.复杂度:10
9. Complexity: 10
10.同位素原子数量:0
10. Number of isotope atoms: 0
11.确定原子立构中心数量:0
11. Determine the number of atomic conformation centers: 0
12.不确定原子立构中心数量:0
12. Uncertain number of atomic constructional centers: 0
13.确定化学键立构中心数量:0
13. Determine the number of chemical bond centers: 0
14.不确定化学键立构中心数量:0
14. Uncertain number of chemical bond centers: 0
15.共价键单元数量:1 [2]
15. Number of covalent bond units: 1 [2]