Inchi | 1S/C22H30Cl2N10.2ClH/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;;/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*1H/i5D,6D,7D,8D,9D,10D,11D,12D;; |
InChIKey | WJLVQTJZDCGNJN-ZYNYSASXSA-N |
SMILES | ClC1C([2H])=C([2H])C(=C([2H])C=1[2H])N([H])/C(/N([H])[H])=N/C(/N([H])[H])=N/C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])/N=C(\N([H])[H])/N=C(\N([H])[H])/N([H])C1C([2H])=C([2H])C(=C([2H])C=1[2H])Cl.Cl[H].Cl[H] |
氢键供体数量 | 8 |
氢键受体数量 | 2 |
重原子数量 | 36 |
可旋转化学键数量 | 13 |
复杂度 | 649 |
拓扑分子极性表面积 | 178 |