化合物信息

ID:6665

基本信息
化学结构
MolImage
分子式
C₁₃H₃F₂₃O₅
分子量
676.1231936
精确质量
675.96132226
电荷
0
InChI
InChI=1S/C13H3F23O5/c1-38-2(37)3(14,7(19,20)21)39-12(33,34)5(17,9(25,26)27)41-13(35,36)6(18,10(28,29)30)40-11(31,32)4(15,16)8(22,23)24/h1H3
InChIKey
POFXNOHVAKKASZ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(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)F
Isomeric Smiles
O=C(C(OC(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)(C(F)(F)F)F)OC
计算属性
JChem
质子受体
4
质子供体
0
LogD (pH = 5.5)
8.91554
LogD (pH = 7.4)
8.91554
Log P
8.91554
摩尔折射率
73.5369
极化性
28.606129
极化表面积
53.99
可自由旋转的化学键
15
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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