化合物信息

ID:97532

基本信息
化学结构
MolImage
分子式
C₁₇HF₂₉N₂O
分子量
800.1563328
精确质量
799.96258104
电荷
0
InChI
InChI=1S/C17HF29N2O/c18-5(19,8(25,26)10(29,30)12(33,34)14(37,38)16(41,42)43)2-1-3(48(47-2)4(49)7(22,23)24)6(20,21)9(27,28)11(31,32)13(35,36)15(39,40)17(44,45)46/h1H
InChIKey
HVVJMTAXSYIIQT-UHFFFAOYSA-N
Canonic Smiles
O=C(C(F)(F)F)n1nc(cc1C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
n1(c(cc(n1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)C(F)(F)F
计算属性
JChem
质子受体
2
质子供体
0
LogD (pH = 5.5)
9.797544
LogD (pH = 7.4)
9.797544
Log P
9.797544
摩尔折射率
88.1588
极化性
33.621696
极化表面积
34.89
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
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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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