化合物信息

ID:98702

基本信息
化学结构
分子式
C₁₂F₂₆
分子量
638.0868832
精确质量
637.95848372
电荷
0
InChI
InChI=1S/C12F26/c13-1(14,3(17,18)5(21,22)7(25,26)9(29,30)11(33,34)35)2(15,16)4(19,20)6(23,24)8(27,28)10(31,32)12(36,37)38
InChIKey
WNZGTRLARPEMIG-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(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)F
Isomeric Smiles
FC(C(C(C(F)(F)C(C(C(F)(F)C(F)(F)C(C(F)(C(F)(C(F)(F)F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
计算属性
JChem
质子受体
0
质子供体
0
LogD (pH = 5.5)
9.088144
LogD (pH = 7.4)
9.088144
Log P
9.088144
摩尔折射率
59.5492
极化性
23.965794
极化表面积
0.0
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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