化合物信息

ID:6664

基本信息
化学结构
MolImage
分子式
C₁₂F₂₄O₄
分子量
664.0876768
精确质量
663.94133576
电荷
0
InChI
InChI=1S/C12F24O4/c13-1(37)2(14,6(19,20)21)38-11(33,34)4(17,8(25,26)27)40-12(35,36)5(18,9(28,29)30)39-10(31,32)3(15,16)7(22,23)24
InChIKey
IIYQDKPSLAINNX-UHFFFAOYSA-N
Canonic Smiles
FC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F
Isomeric Smiles
O=C(C(OC(C(OC(C(OC(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)F
计算属性
JChem
质子受体
4
质子供体
0
LogD (pH = 5.5)
9.015386
LogD (pH = 7.4)
9.015386
Log P
9.015386
摩尔折射率
67.9913
极化性
26.406822
极化表面积
44.76
可自由旋转的化学键
14
里宾斯基五规则
false
数据来源
名称和标识
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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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