Inchi | 1S/C21H41N3O9/c1-21(2,3)33-20(25)4-6-26-8-10-28-12-14-30-16-18-32-19-17-31-15-13-29-11-9-27-7-5-23-24-22/h4-19H2,1-3H3 |
InChIKey | KNNPWJYJJZETEL-UHFFFAOYSA-N |
SMILES | O(C(C([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])N=[N+]=[N-])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H] |
氢键供体数量 | 0 |
氢键受体数量 | 11 |
重原子数量 | 33 |
可旋转化学键数量 | 26 |
复杂度 | 498 |
疏水参数计算参考值(XlogP) | 0.9 |
拓扑分子极性表面积 | 105 |