化合物信息

ID:15249

基本信息
化学结构
MolImage
分子式
C₁₅H₂F₂₆N₂
分子量
704.1482632
精确质量
703.98028179
电荷
0
InChI
InChI=1S/C15H2F26N2/c16-4(17,6(20,21)8(24,25)10(28,29)12(32,33)14(36,37)38)2-1-3(43-42-2)5(18,19)7(22,23)9(26,27)11(30,31)13(34,35)15(39,40)41/h1H,(H,42,43)
InChIKey
MWEVZBCRQDLSLM-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(c1n[nH]c(c1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
c1c(n[nH]c1C(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
Acid pKa
9.7037735
质子受体
1
质子供体
1
LogD (pH = 5.5)
9.345377
LogD (pH = 7.4)
9.343306
Log P
9.345406
摩尔折射率
77.8783
极化性
29.63929
极化表面积
28.68
可自由旋转的化学键
12
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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