化合物信息

ID:99141

基本信息
化学结构
MolImage
分子式
C₂₀H₃F₃₇O₅
分子量
1026.1757384
精确质量
1025.93896734
电荷
0
InChI
InChI=1S/C20H3F37O5/c1-2-3(21,22)5(25,11(33,34)35)58-17(50,51)7(27,13(39,40)41)60-19(54,55)9(29,15(45,46)47)62-20(56,57)8(28,14(42,43)44)61-18(52,53)6(26,12(36,37)38)59-16(48,49)4(23,24)10(30,31)32/h2H,1H2
InChIKey
IUBNXGBFRLNANO-UHFFFAOYSA-N
Canonic Smiles
C=CC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(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)(F)F)F)(F)F)F)(F)F
Isomeric Smiles
O(C(C(OC(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F)C(C(OC(C(OC(C(OC(C(F)(F)F)(C(C=C)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F
计算属性
JChem
质子受体
5
质子供体
0
LogD (pH = 5.5)
15.192523
LogD (pH = 7.4)
15.192523
Log P
15.192523
摩尔折射率
109.9943
极化性
42.273556
极化表面积
46.15
可自由旋转的化学键
23
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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