化合物信息

ID:95815

基本信息
化学结构
MolImage
分子式
C₁₂F₂₆O₄
分子量
702.0844832
精确质量
701.9381422
电荷
0
InChI
InChI=1S/C12F26O4/c13-1(14,9(29,30)41-11(33,34)35)7(25,26)39-3(17,5(19,20)21)4(18,6(22,23)24)40-8(27,28)2(15,16)10(31,32)42-12(36,37)38
InChIKey
NDLQUALGYZMAAK-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(F)(F)F)(OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)F)(C(F)(F)F)OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
O(C(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)C(C(OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(C(F)(F)F)F
计算属性
JChem
质子受体
4
质子供体
0
LogD (pH = 5.5)
11.126049
LogD (pH = 7.4)
11.126049
Log P
11.126049
摩尔折射率
61.367
极化性
27.270235
极化表面积
36.92
可自由旋转的化学键
15
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
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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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