化合物信息

ID:97188

基本信息
化学结构
MolImage
分子式
C₁₄HF₂₃N₂O
分子量
650.1338136
精确质量
649.97216172
电荷
0
InChI
InChI=1S/C14HF23N2O/c15-5(16,8(22,23)10(26,27)11(28,29)12(30,31)14(35,36)37)2-1-3(7(19,20)21)39(38-2)4(40)6(17,18)9(24,25)13(32,33)34/h1H
InChIKey
NSGZMAWWDWMSHJ-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C(C(F)(F)F)(F)F)(F)F)n1nc(cc1C(F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
n1c(cc(n1C(=O)C(F)(F)C(C(F)(F)F)(F)F)C(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
2
质子供体
0
LogD (pH = 5.5)
7.695615
LogD (pH = 7.4)
7.695615
Log P
7.695615
摩尔折射率
74.1548
极化性
27.878647
极化表面积
34.89
可自由旋转的化学键
10
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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