InChIKey | KDNFAOHHDGPOSG-AWEZNQCLSA-N |
Inchi | 1S/C19H22N4O4/c1-19(2,27)11-16(24)23-17(25)14(10-13-6-4-3-5-7-13)22-18(26)15-12-20-8-9-21-15/h3-9,12,14,27H,10-11H2,1-2H3,(H,22,26)(H,23,24,25)/t14-/m0/s1 |
SMILES | O([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C(N([H])C([C@]([H])(C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H])N([H])C(C1C([H])=NC([H])=C([H])N=1)=O)=O)=O |
氢键供体数量 | 3 |
氢键受体数量 | 6 |
可旋转化学键数量 | 7 |
重原子数量 | 27 |
复杂度 | 532 |
疏水参数计算参考值(XlogP) | 0.4 |
拓扑分子极性表面积 | 121 |