化合物信息

ID:94087

基本信息
化学结构
MolImage
分子式
C₁₄H₄Cl₂F₂₄O₄S
分子量
795.1118368
精确质量
793.88241225
电荷
0
InChI
InChI=1S/C14H4Cl2F24O4S/c15-13(37,38)11(33,34)9(29,30)7(25,26)5(21,22)3(17,18)1-43-45(41,42)44-2-4(19,20)6(23,24)8(27,28)10(31,32)12(35,36)14(16,39)40/h1-2H2
InChIKey
SJJVEEVPDRYZPY-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(COS(=O)(=O)OCC(C(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
S(=O)(=O)(OCC(C(C(C(F)(C(C(F)(Cl)F)(F)F)F)(F)F)(F)F)(F)F)OCC(C(C(F)(F)C(F)(F)C(F)(F)C(Cl)(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)
9.244362
LogD (pH = 7.4)
9.244362
Log P
9.244362
摩尔折射率
89.9852
极化性
36.509064
极化表面积
52.6
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
数据登录号
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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