化合物信息

ID:6750

基本信息
化学结构
MolImage
分子式
C₁₄H₆F₂₀O₂
分子量
586.164304
精确质量
586.00484383
电荷
0
InChI
InChI=1S/C14H6F20O2/c1-2-4(35)36-3-6(17,18)8(21,22)10(25,26)12(29,30)14(33,34)13(31,32)11(27,28)9(23,24)7(19,20)5(15)16/h2,5H,1,3H2
InChIKey
ASJLMYWCUSHRIW-UHFFFAOYSA-N
Canonic Smiles
C=CC(=O)OCC(C(C(C(C(C(C(C(C(C(F)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(COC(=O)C=C)(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
19.78678
质子受体
1
质子供体
0
LogD (pH = 5.5)
7.6842947
LogD (pH = 7.4)
7.6842947
Log P
7.6842947
摩尔折射率
68.6329
极化性
26.943449
极化表面积
26.3
可自由旋转的化学键
13
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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