化合物信息

ID:8995

基本信息
化学结构
MolImage
分子式
C₁₁HF₂₃O₃
分子量
618.0871136
精确质量
617.95584295
电荷
0
InChI
InChI=1S/C11HF23O3/c12-1(2(13,14)15)35-10(31,32)4(18,7(23,24)25)37-11(33,34)5(19,8(26,27)28)36-9(29,30)3(16,17)6(20,21)22/h1H
InChIKey
QRLOKTBZZPZAMX-UHFFFAOYSA-N
Canonic Smiles
FC(C(F)(F)F)OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F
Isomeric Smiles
O(C(C(F)(F)F)F)C(C(OC(C(OC(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F
计算属性
JChem
Acid pKa
18.865005
质子受体
3
质子供体
0
LogD (pH = 5.5)
8.752976
LogD (pH = 7.4)
8.752976
Log P
8.752976
摩尔折射率
62.4254
极化性
24.331192
极化表面积
27.69
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