化合物信息

ID:6644

基本信息
化学结构
MolImage
分子式
C₁₂H₂F₂₀O₄
分子量
590.109944
精确质量
589.96337294
电荷
0
InChI
InChI=1S/C12H2F20O4/c13-3(14,1(33)34)5(17,18)7(21,22)9(25,26)11(29,30)12(31,32)10(27,28)8(23,24)6(19,20)4(15,16)2(35)36/h(H,33,34)(H,35,36)
InChIKey
PJXYUQMFTNTTLI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)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
Isomeric Smiles
OC(=O)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
-5.4989057
质子受体
4
质子供体
2
LogD (pH = 5.5)
-0.31625956
LogD (pH = 7.4)
-0.31625962
Log P
6.742676
摩尔折射率
61.1186
极化性
24.838657
极化表面积
74.6
可自由旋转的化学键
11
里宾斯基五规则
false
数据来源
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化合物性质
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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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