化合物信息

ID:15286

基本信息
化学结构
MolImage
分子式
C₁₂F₂₃N
分子量
595.0983736
精确质量
594.96634807
电荷
0
InChI
InChI=1S/C12F23N/c13-1(10(29,30)31)2(14,15)5(20,21)9(28,6(22,23)3(1,16)17)36-11(32,33)7(24,25)4(18,19)8(26,27)12(36,34)35
InChIKey
WDWGWHKCNGASHA-UHFFFAOYSA-N
Canonic Smiles
FC1(N2C(F)(F)C(F)(F)C(C(C2(F)F)(F)F)(F)F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)C(F)(F)F
Isomeric Smiles
N1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)C1(C(C(C(C(C1(F)F)(F)F)(C(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)
8.217932
LogD (pH = 7.4)
8.217932
Log P
8.217932
摩尔折射率
59.223
极化性
23.62439
极化表面积
3.24
可自由旋转的化学键
2
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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