化合物信息

ID:8103

基本信息
化学结构
分子式
C₁₄H₃F₂₇O
分子量
700.1299064
精确质量
699.97527666
电荷
0
InChI
InChI=1S/C14H3F27O/c15-2(16,1-42)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)41/h42H,1H2
InChIKey
WYCXYEWKMLSDBQ-UHFFFAOYSA-N
Canonic Smiles
OCC(C(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)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)(C(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)
8.844232
LogD (pH = 7.4)
8.844229
Log P
8.844232
摩尔折射率
69.7274
极化性
28.000643
极化表面积
20.23
可自由旋转的化学键
13
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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