化合物信息

ID:100617

基本信息
化学结构
MolImage
分子式
C₁₄F₂₆O₃
分子量
710.1064832
精确质量
709.94322758
电荷
0
InChI
InChI=1S/C14F26O3/c15-3(16,5(19,20)7(23,24)9(27,28)11(31,32)13(35,36)37)1(41)43-2(42)4(17,18)6(21,22)8(25,26)10(29,30)12(33,34)14(38,39)40
InChIKey
NWDZSYHMBYNCRO-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
O(C(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
计算属性
JChem
质子受体
2
质子供体
0
LogD (pH = 5.5)
8.958565
LogD (pH = 7.4)
8.958565
Log P
8.958565
摩尔折射率
70.7824
极化性
28.538847
极化表面积
43.37
可自由旋转的化学键
14
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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