Inchi | 1S/C14H21NO4/c1-14(2,3)19-13(18)15(4)9-12(17)10-5-7-11(16)8-6-10/h5-8,12,16-17H,9H2,1-4H3 |
InChIKey | IJNYWRRJQFYLLO-UHFFFAOYSA-N |
SMILES | O(C(N(C([H])([H])[H])C([H])([H])C([H])(C1C([H])=C([H])C(=C([H])C=1[H])O[H])O[H])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H] |
氢键供体数量 | 2 |
氢键受体数量 | 4 |
重原子数量 | 19 |
可旋转化学键数量 | 5 |
复杂度 | 292 |
疏水参数计算参考值(XlogP) | 1.6 |
拓扑分子极性表面积 | 70 |