化合物信息

ID:8870

基本信息
化学结构
MolImage
分子式
C₁₆F₃₀O₃
分子量
810.121496
精确质量
809.93684046
电荷
0
InChI
InChI=1S/C16F30O3/c17-3(18,5(21,22)7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)43)1(47)49-2(48)4(19,20)6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(44,45)46
InChIKey
NBEDTLDKOMPAQK-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)C(=O)OC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
计算属性
JChem
质子受体
2
质子供体
0
LogD (pH = 5.5)
10.359851
LogD (pH = 7.4)
10.359851
Log P
10.359851
摩尔折射率
80.1184
极化性
32.37363
极化表面积
43.37
可自由旋转的化学键
16
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
参考文献
生物活性
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