化合物信息

ID:7895

基本信息
化学结构
MolImage
分子式
C₂₀F₄₂
分子量
1038.1469344
精确质量
1037.93293524
电荷
0
InChI
InChI=1S/C20F42/c21-1(22,3(25,26)5(29,30)7(33,34)9(37,38)11(41,42)13(45,46)15(49,50)17(53,54)19(57,58)59)2(23,24)4(27,28)6(31,32)8(35,36)10(39,40)12(43,44)14(47,48)16(51,52)18(55,56)20(60,61)62
InChIKey
WSXNCJNDCDTRSA-UHFFFAOYSA-N
Canonic Smiles
FC(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)(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
Isomeric Smiles
C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(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)F)(F)F
计算属性
JChem
质子受体
0
质子供体
0
LogD (pH = 5.5)
14.693286
LogD (pH = 7.4)
14.693286
Log P
14.693286
摩尔折射率
96.8932
极化性
39.310368
极化表面积
0.0
可自由旋转的化学键
19
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
参考文献
生物活性
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