化合物信息

ID:7883

基本信息
化学结构
分子式
C₁₂HF₂₃O₂
分子量
614.0984136
精确质量
613.96092833
电荷
0
InChI
InChI=1S/C12HF23O2/c13-2(14,1(36)37)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)35/h(H,36,37)
InChIKey
CXGONMQFMIYUJR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
计算属性
JChem
Acid pKa
-5.1978645
质子受体
2
质子供体
1
LogD (pH = 5.5)
4.3859425
LogD (pH = 7.4)
4.3859425
Log P
7.91541
摩尔折射率
60.3339
极化性
24.385939
极化表面积
37.3
可自由旋转的化学键
11
里宾斯基五规则
false
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化合物性质
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描述信息
参考文献
生物活性
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