化合物信息

ID:10331

基本信息
化学结构
分子式
C₁₂H₅F₂₁
分子量
548.1345672
精确质量
548.00559278
电荷
0
InChI
InChI=1S/C12H5F21/c1-2-3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h2H2,1H3
InChIKey
HUPGRQWHZOWFPQ-UHFFFAOYSA-N
Canonic Smiles
CCC(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)F
Isomeric Smiles
C(C(C(C(C(C(C(C(CC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)C(C(F)(F)F)(F)F
计算属性
JChem
质子受体
0
质子供体
0
LogD (pH = 5.5)
8.0830345
LogD (pH = 7.4)
8.0830345
Log P
8.0830345
摩尔折射率
58.8141
极化性
23.032291
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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