化合物信息

ID:11828

基本信息
化学结构
MolImage
分子式
C₂₀H₁₀F₂₆O₄
分子量
808.2494832
精确质量
808.01639252
电荷
0
InChI
InChI=1S/C20H10F26O4/c21-9(22,11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)43)3-5-49-7(47)1-2-8(48)50-6-4-10(23,24)12(27,28)14(31,32)16(35,36)18(39,40)20(44,45)46/h1-2H,3-6H2/b2-1-
InChIKey
KTDHXHZTHVKJGC-UPHRSURJSA-N
Canonic Smiles
O=C(/C=C\C(=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
O=C(/C=C\C(=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
计算属性
JChem
质子受体
2
质子供体
0
LogD (pH = 5.5)
10.174767
LogD (pH = 7.4)
10.174767
Log P
10.174767
摩尔折射率
100.629
极化性
38.64869
极化表面积
52.6
可自由旋转的化学键
20
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