化合物信息

ID:93134

基本信息
化学结构
MolImage
分子式
C₂₂H₆F₂₆N₂O
分子量
808.2543232
精确质量
808.00649654
电荷
0
InChI
InChI=1S/C22H6F26N2O/c23-11(24,13(27,28)15(31,32)17(35,36)19(39,40)21(43,44)45)8-6-9(50(49-8)10(51)7-4-2-1-3-5-7)12(25,26)14(29,30)16(33,34)18(37,38)20(41,42)22(46,47)48/h1-6H
InChIKey
IPYGQAQYTYRSSI-UHFFFAOYSA-N
Canonic Smiles
O=C(n1nc(cc1C(C(C(C(C(C(F)(F)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)c1ccccc1
Isomeric Smiles
O=C(c1ccccc1)n1c(cc(n1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(F)(F)C(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)
10.519389
LogD (pH = 7.4)
10.519389
Log P
10.519389
摩尔折射率
107.8191
极化性
39.82979
极化表面积
34.89
可自由旋转的化学键
13
里宾斯基五规则
false
数据来源
名称和标识
数据登录号
化合物性质
分子相关蛋白质
暂无数据
点击上传数据
分子图谱
暂无数据
点击上传数据
描述信息
暂无数据
点击上传数据
参考文献
生物活性
导 航