化合物信息

ID:12074

基本信息
化学结构
MolImage
分子式
C₁₂F₂₄O₂
分子量
632.0888768
精确质量
631.95150652
电荷
0
InChI
InChI=1S/C12F24O2/c13-1(14)2(15,16)7(25,37-11(33,34)5(21,22)9(27,28)29)4(19,20)8(26,3(1,17)18)38-12(35,36)6(23,24)10(30,31)32
InChIKey
ANARGVKRHRBDMP-UHFFFAOYSA-N
Canonic Smiles
FC(C(OC1(F)C(F)(F)C(F)(OC(C(C(F)(F)F)(F)F)(F)F)C(C(C1(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F
Isomeric Smiles
C1(C(C(C(C(C1(F)F)(F)F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)(OC(C(C(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)
8.977203
LogD (pH = 7.4)
8.977203
Log P
8.977203
摩尔折射率
61.6386
极化性
24.674583
极化表面积
18.46
可自由旋转的化学键
8
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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