化合物信息

ID:100238

基本信息
化学结构
MolImage
分子式
C₂₁H₆F₂₆N₂
分子量
780.2442232
精确质量
780.01158192
电荷
0
InChI
InChI=1S/C21H6F26N2/c22-10(23,12(26,27)14(30,31)16(34,35)18(38,39)20(42,43)44)8-6-9(49(48-8)7-4-2-1-3-5-7)11(24,25)13(28,29)15(32,33)17(36,37)19(40,41)21(45,46)47/h1-6H
InChIKey
KDCNVIFJBJGTKN-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(c1nn(c(c1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1ccccc1)F
Isomeric Smiles
n1(c2ccccc2)c(cc(n1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(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)
11.127039
LogD (pH = 7.4)
11.12704
Log P
11.12704
摩尔折射率
102.5526
极化性
38.383396
极化表面积
17.82
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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