化合物信息

ID:6475

基本信息
化学结构
MolImage
分子式
C₁₂H₆F₂₀O₂
分子量
562.142904
精确质量
562.00484383
电荷
0
InChI
InChI=1S/C12H6F20O2/c13-3(14,1-33)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)2-34/h33-34H,1-2H2
InChIKey
MBKZIVRAOJBYDI-UHFFFAOYSA-N
Canonic Smiles
OCC(C(C(C(C(C(C(C(C(C(CO)(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(C(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
计算属性
JChem
Acid pKa
12.320049
质子受体
2
质子供体
2
LogD (pH = 5.5)
5.797748
LogD (pH = 7.4)
5.797743
Log P
5.797748
摩尔折射率
61.2336
极化性
24.41596
极化表面积
40.46
可自由旋转的化学键
11
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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