化合物信息

ID:96971

基本信息
化学结构
MolImage
分子式
C₁₆HF₃₄NO₄S₂
分子量
981.2591488
精确质量
980.880409
电荷
0
InChI
InChI=1S/C16HF34NO4S2/c17-1(18,5(25,26)9(33,34)13(41,42)43)3(21,22)7(29,30)11(37,38)15(47,48)56(52,53)51-57(54,55)16(49,50)12(39,40)8(31,32)4(23,24)2(19,20)6(27,28)10(35,36)14(44,45)46/h51H
InChIKey
FKDMKFQVVFJJFZ-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(S(=O)(=O)NS(=O)(=O)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
Isomeric Smiles
S(=O)(=O)(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)NS(=O)(=O)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
计算属性
JChem
Acid pKa
-0.021952473
质子受体
4
质子供体
1
LogD (pH = 5.5)
11.636857
LogD (pH = 7.4)
11.636858
Log P
10.728801
摩尔折射率
100.1286
极化性
41.102158
极化表面积
80.31
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
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参考文献
生物活性
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