Inchi | 1S/C18H26ClN3O.H2O4S/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18;1-5(2,3)4/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21);(H2,1,2,3,4)/t14-;/m0./s1 |
InChIKey | JCBIVZZPXRZKTI-UQKRIMTDSA-N |
SMILES | ClC1C([H])=C([H])C2C(C=1[H])=NC([H])=C([H])C=2N([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])O[H].S(=O)(=O)(O[H])O[H] |
氢键供体数量 | 4 |
氢键受体数量 | 8 |
重原子数量 | 28 |
可旋转化学键数量 | 9 |
复杂度 | 413 |
拓扑分子极性表面积 | 131 |