化合物信息

ID:7875

基本信息
化学结构
MolImage
分子式
C₁₀F₂₁I
分子量
645.9779372
精确质量
645.87094062
电荷
0
InChI
InChI=1S/C10F21I/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)32
InChIKey
UDWBMXSQHOHKOI-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F
Isomeric Smiles
FC(C(C(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
计算属性
JChem
质子受体
0
质子供体
0
LogD (pH = 5.5)
8.9096
LogD (pH = 7.4)
8.9096
Log P
8.9096
摩尔折射率
63.1879
极化性
25.458477
极化表面积
0.0
可自由旋转的化学键
9
里宾斯基五规则
false
数据来源
名称和标识
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化合物性质
分子相关蛋白质
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分子图谱
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描述信息
参考文献
生物活性
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