Inchi | 1S/C24H49N3O11S/c25-27-26-1-2-28-3-4-29-5-6-30-7-8-31-9-10-32-11-12-33-13-14-34-15-16-35-17-18-36-19-20-37-21-22-38-23-24-39/h39H,1-24H2 |
InChIKey | RKGIMXYCNVQGSG-UHFFFAOYSA-N |
SMILES | S([H])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])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-] |
氢键供体数量 | 1 |
氢键受体数量 | 14 |
重原子数量 | 39 |
可旋转化学键数量 | 35 |
复杂度 | 510 |
疏水参数计算参考值(XlogP) | -0.2 |
拓扑分子极性表面积 | 117 |