化合物信息

ID:10332

基本信息
化学结构
MolImage
分子式
C₁₄H₅F₂₃O₂
分子量
642.1515736
精确质量
641.99222846
电荷
0
InChI
InChI=1S/C14H5F23O2/c1-2-39-3(38)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)13(33,34)14(35,36)37/h2H2,1H3
InChIKey
UQZFWRDNDBASDI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=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
FC(C(C(C(C(C(C(C(C(C(C(C(=O)OCC)(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
1
质子供体
0
LogD (pH = 5.5)
8.418112
LogD (pH = 7.4)
8.418112
Log P
8.418112
摩尔折射率
69.8516
极化性
27.678375
极化表面积
26.3
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