化合物信息

ID:7777

基本信息
化学结构
MolImage
分子式
C₁₁H₂F₂₀O₂
分子量
546.100444
精确质量
545.9735437
电荷
0
InChI
InChI=1S/C11H2F20O2/c12-1(13)3(14,15)5(18,19)7(22,23)9(26,27)11(30,31)10(28,29)8(24,25)6(20,21)4(16,17)2(32)33/h1H,(H,32,33)
InChIKey
MMYNPHSPRPZSSN-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)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(C(C(C(C(=O)O)(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
Acid pKa
-5.197846
质子受体
2
质子供体
1
LogD (pH = 5.5)
3.1965394
LogD (pH = 7.4)
3.1965392
Log P
6.726007
摩尔折射率
54.7762
极化性
22.279541
极化表面积
37.3
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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