化合物信息

ID:98568

基本信息
化学结构
MolImage
分子式
C₁₁F₂₃IO
分子量
711.9848436
精确质量
711.86266168
电荷
0
InChI
InChI=1S/C11F23IO/c12-1(13,3(16,17)5(20,21)10(31,32)35)2(14,15)4(18,19)6(22,23)11(33,34)36-7(24,8(25,26)27)9(28,29)30
InChIKey
DQVDKUNLKZLJJV-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)F)F
Isomeric Smiles
IC(F)(F)C(F)(F)C(F)(F)C(C(C(C(F)(F)C(OC(C(F)(F)F)(C(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)
9.879
LogD (pH = 7.4)
9.879
Log P
9.879
摩尔折射率
70.6672
极化性
28.206957
极化表面积
9.23
可自由旋转的化学键
11
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
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参考文献
生物活性
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