化合物信息

ID:9017

基本信息
化学结构
MolImage
分子式
C₁₁H₄F₁₉I
分子量
624.0235908
精确质量
623.90543431
电荷
0
InChI
InChI=1S/C11H4F19I/c12-3(13,1-2-31)5(15,16)7(19,20)9(23,24)8(21,22)6(17,18)4(14,10(25,26)27)11(28,29)30/h1-2H2
InChIKey
PMGMHQUGBLUBQV-UHFFFAOYSA-N
Canonic Smiles
ICCC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(C(C(C(C(CCI)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)F
计算属性
JChem
质子受体
0
质子供体
0
LogD (pH = 5.5)
8.020665
LogD (pH = 7.4)
8.020665
Log P
8.020665
摩尔折射率
67.0645
极化性
26.644247
极化表面积
0.0
可自由旋转的化学键
10
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
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参考文献
生物活性
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