化合物信息

ID:98207

基本信息
化学结构
MolImage
分子式
C₁₄H₃F₂₅O₂
分子量
678.1325
精确质量
677.97338484
电荷
0
InChI
InChI=1S/C14H3F25O2/c1-41-2(40)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h1H3
InChIKey
MCVGSSHSKHYZGK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)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
Isomeric Smiles
FC(C(C(C(C(C(C(C(C(C(C(C(C(=O)OC)(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
质子受体
1
质子供体
0
LogD (pH = 5.5)
8.761947
LogD (pH = 7.4)
8.761947
Log P
8.761947
摩尔折射率
69.771
极化性
28.021072
极化表面积
26.3
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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