化合物信息

ID:6778

基本信息
化学结构
MolImage
分子式
C₁₃H₄F₂₄O
分子量
632.1319368
精确质量
631.98789203
电荷
0
InChI
InChI=1S/C13H4F24O/c14-2(15)4(18,19)6(22,23)8(26,27)10(30,31)12(34,35)13(36,37)11(32,33)9(28,29)7(24,25)5(20,21)3(16,17)1-38/h2,38H,1H2
InChIKey
LNNWSUTUIVJKDJ-UHFFFAOYSA-N
Canonic Smiles
OCC(C(C(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)F)(F)F
Isomeric Smiles
C(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)(F)F)(F)F
计算属性
JChem
Acid pKa
12.621079
质子受体
1
质子供体
1
LogD (pH = 5.5)
7.6548285
LogD (pH = 7.4)
7.6548257
Log P
7.6548285
摩尔折射率
64.1697
极化性
25.895443
极化表面积
20.23
可自由旋转的化学键
12
里宾斯基五规则
false
数据来源
名称和标识
数据登录号
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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