化合物信息

ID:93088

基本信息
化学结构
MolImage
分子式
C₁₆H₅F₃₀N
分子量
781.169696
精确质量
780.99429577
电荷
0
InChI
InChI=1S/C16H5F30N/c17-3(18,5(21,22)7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)43)1-47-2-4(19,20)6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(44,45)46/h47H,1-2H2
InChIKey
FTLIVFJKISSELN-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CNCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
FC(C(F)(F)C(C(F)(F)C(C(C(CNCC(C(C(F)(F)C(C(F)(C(F)(F)C(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
1
质子供体
1
LogD (pH = 5.5)
10.119789
LogD (pH = 7.4)
10.12496
Log P
10.125027
摩尔折射率
81.6096
极化性
32.23771
极化表面积
12.03
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
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