化合物信息

ID:100513

基本信息
化学结构
MolImage
分子式
C₁₅HF₂₅N₂O
分子量
700.14132
精确质量
699.96896816
电荷
0
InChI
InChI=1S/C15HF25N2O/c16-5(17,8(22,23)11(28,29)14(35,36)37)2-1-3(6(18,19)9(24,25)12(30,31)15(38,39)40)42(41-2)4(43)7(20,21)10(26,27)13(32,33)34/h1H
InChIKey
BRICQRFYYRWLPP-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C(C(F)(F)F)(F)F)(F)F)n1nc(cc1C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
n1c(cc(n1C(=O)C(F)(F)C(F)(F)C(F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(F)(F)C(F)(F)C(C(F)(F)F)(F)F
计算属性
JChem
质子受体
2
质子供体
0
LogD (pH = 5.5)
8.396257
LogD (pH = 7.4)
8.396257
Log P
8.396257
摩尔折射率
78.8228
极化性
29.794249
极化表面积
34.89
可自由旋转的化学键
11
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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