化合物信息

ID:8098

基本信息
化学结构
MolImage
分子式
C₁₂H₃F₂₃O
分子量
600.1148936
精确质量
599.98166378
电荷
0
InChI
InChI=1S/C12H3F23O/c13-2(14,1-36)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)35/h36H,1H2
InChIKey
SHTZQFTXUMCALC-UHFFFAOYSA-N
Canonic Smiles
OCC(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
C(C(C(C(C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
计算属性
JChem
Acid pKa
12.621079
质子受体
1
质子供体
1
LogD (pH = 5.5)
7.4429464
LogD (pH = 7.4)
7.4429436
Log P
7.4429464
摩尔折射率
60.3914
极化性
24.165722
极化表面积
20.23
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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