化合物信息

ID:93488

基本信息
化学结构
MolImage
分子式
C₁₈H₁₈F₂₄N₃O₆P₃
分子量
921.2349798
精确质量
921.00252248
电荷
0
InChI
InChI=1S/C18H18F24N3O6P3/c19-7(20)13(31,32)1-46-52(47-2-14(33,34)8(21)22)43-53(48-3-15(35,36)9(23)24,49-4-16(37,38)10(25)26)45-54(44-52,50-5-17(39,40)11(27)28)51-6-18(41,42)12(29)30/h7-12H,1-6H2
InChIKey
WAVNXLRSYAMQNY-UHFFFAOYSA-N
Canonic Smiles
FC(C(COP1(=NP(=NP(=N1)(OCC(C(F)F)(F)F)OCC(C(F)F)(F)F)(OCC(C(F)F)(F)F)OCC(C(F)F)(F)F)OCC(C(F)F)(F)F)(F)F)F
Isomeric Smiles
N1=P(OCC(F)(F)C(F)F)(OCC(F)(F)C(F)F)N=P(OCC(C(F)F)(F)F)(N=P1(OCC(C(F)F)(F)F)OCC(C(F)F)(F)F)OCC(F)(F)C(F)F
计算属性
JChem
质子受体
3
质子供体
0
LogD (pH = 5.5)
6.8479595
LogD (pH = 7.4)
6.8479605
Log P
6.8479605
摩尔折射率
128.34
极化性
48.872005
极化表面积
92.46
可自由旋转的化学键
24
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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