化合物信息

ID:98700

基本信息
化学结构
MolImage
分子式
C₁₄F₃₀
分子量
738.101896
精确质量
737.9520966
电荷
0
InChI
InChI=1S/C14F30/c15-1(11(33,34)35,12(36,37)38)3(17,18)5(21,22)7(25,26)9(29,30)10(31,32)8(27,28)6(23,24)4(19,20)2(16,13(39,40)41)14(42,43)44
InChIKey
PCEMNVWCINQDOH-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
FC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(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)
9.966103
LogD (pH = 7.4)
9.966103
Log P
9.966103
摩尔折射率
69.4334
极化性
27.805798
极化表面积
0.0
可自由旋转的化学键
13
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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