化合物信息

ID:98741

基本信息
化学结构
MolImage
分子式
C₁₆F₃₄
分子量
838.1169088
精确质量
837.94570948
电荷
0
InChI
InChI=1S/C16F34/c17-1(18,3(21,22)5(25,26)7(29,30)9(33,34)11(37,38)13(41,42)15(45,46)47)2(19,20)4(23,24)6(27,28)8(31,32)10(35,36)12(39,40)14(43,44)16(48,49)50
InChIKey
AQPUCGPFMVEJGS-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)(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
FC(F)(F)C(F)(C(C(C(F)(F)C(C(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C(C(C(C(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)
11.890716
LogD (pH = 7.4)
11.890716
Log P
11.890716
摩尔折射率
78.2212
极化性
31.637966
极化表面积
0.0
可自由旋转的化学键
15
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
暂无数据
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描述信息
暂无数据
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参考文献
生物活性
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