化合物信息

ID:8993

基本信息
化学结构
分子式
C₂₀HF₄₁O₆
分子量
1116.1528712
精确质量
1115.91184477
电荷
0
InChI
InChI=1S/C20HF41O6/c21-1(2(22,23)24)62-16(52,53)4(27,10(35,36)37)64-18(56,57)6(29,12(41,42)43)66-20(60,61)8(31,14(47,48)49)67-19(58,59)7(30,13(44,45)46)65-17(54,55)5(28,11(38,39)40)63-15(50,51)3(25,26)9(32,33)34/h1H
InChIKey
RPIANCZCOWLFSM-UHFFFAOYSA-N
Canonic Smiles
FC(C(F)(F)F)OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F
Isomeric Smiles
O(C(C(F)(F)F)F)C(C(OC(C(OC(C(OC(C(OC(C(OC(C(F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F
计算属性
JChem
Acid pKa
18.865005
质子受体
6
质子供体
0
LogD (pH = 5.5)
15.912996
LogD (pH = 7.4)
15.912996
Log P
15.912996
摩尔折射率
112.8713
极化性
44.080147
极化表面积
55.38
可自由旋转的化学键
25
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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