化合物信息

ID:97427

基本信息
化学结构
MolImage
分子式
C₂₀H₈F₃₄S₂
分子量
958.3532288
精确质量
957.95245174
电荷
0
InChI
InChI=1S/C20H8F34S2/c21-5(22,7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)51)1-3-55-56-4-2-6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(52,53)54/h1-4H2
InChIKey
PFSDZNASIFXROJ-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)(CCSSCCC(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
FC(F)(F)C(C(C(C(C(F)(F)C(C(CCSSCCC(C(C(F)(F)C(F)(F)C(F)(F)C(F)(C(C(F)(F)F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
计算属性
JChem
质子受体
0
质子供体
0
LogD (pH = 5.5)
13.558404
LogD (pH = 7.4)
13.558404
Log P
13.558404
摩尔折射率
112.2474
极化性
43.395405
极化表面积
0.0
可自由旋转的化学键
21
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
暂无数据
点击上传数据
分子图谱
暂无数据
点击上传数据
描述信息
暂无数据
点击上传数据
参考文献
生物活性
导 航