化合物信息

ID:100510

基本信息
化学结构
MolImage
分子式
C₂₀H₉F₃₂IO₅
分子量
1064.1358324
精确质量
1063.89837443
电荷
0
InChI
InChI=1S/C20H9F32IO5/c21-8(22,1-2-53)3(9(23,24)25)54-14(38,39)4(10(26,27)28)55-15(40,41)5(11(29,30)31)56-16(42,43)6(12(32,33)34)57-17(44,45)7(13(35,36)37)58-20(51,52)18(46,47)19(48,49)50/h3-7H,1-2H2
InChIKey
NAISQOHEAUTPSZ-UHFFFAOYSA-N
Canonic Smiles
ICCC(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
Isomeric Smiles
O(C(C(F)(F)F)C(CCI)(F)F)C(C(OC(C(OC(C(C(F)(F)F)OC(C(OC(C(C(F)(F)F)(F)F)(F)F)C(F)(F)F)(F)F)(F)F)C(F)(F)F)(F)F)C(F)(F)F)(F)F
计算属性
JChem
Acid pKa
14.74456
质子受体
5
质子供体
0
LogD (pH = 5.5)
13.158605
LogD (pH = 7.4)
13.158605
Log P
13.158605
摩尔折射率
122.4269
极化性
47.21463
极化表面积
46.15
可自由旋转的化学键
24
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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