化合物信息

ID:99853

基本信息
化学结构
MolImage
分子式
C₂₀H₁₉F₂₅O₃Si
分子量
810.40864
精确质量
810.0704265
电荷
0
InChI
InChI=1S/C20H19F25O3Si/c1-4-46-49(47-5-2,48-6-3)8-7-9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)17(37,38)18(39,40)19(41,42)20(43,44)45/h4-8H2,1-3H3
InChIKey
CBZXLVMVIMSMCZ-UHFFFAOYSA-N
Canonic Smiles
CCO[Si](CCC(C(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)(F)F)(OCC)OCC
Isomeric Smiles
[Si](CCC(C(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)(F)F)(OCC)(OCC)OCC
计算属性
JChem
质子受体
3
质子供体
0
LogD (pH = 5.5)
12.0255
LogD (pH = 7.4)
12.0255
Log P
12.0255
摩尔折射率
102.0855
极化性
41.72283
极化表面积
27.69
可自由旋转的化学键
20
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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