Inchi | 1S/C36H51NO/c1-22(2)23-14-17-36(21-38)19-18-34(6)26(30(23)36)12-13-29-33(5)20-25-24-10-8-9-11-27(24)37-31(25)32(3,4)28(33)15-16-35(29,34)7/h8-11,23,26,28-30,37-38H,1,12-21H2,2-7H3/t23-,26+,28-,29+,30+,33-,34+,35+,36+/m0/s1 |
InChIKey | DBMVITGMICHGEG-GWMWQEPPSA-N |
SMILES | O([H])C([H])([H])[C@]12C([H])([H])C([H])([H])[C@@]([H])(C(=C([H])[H])C([H])([H])[H])[C@]1([H])[C@@]1([H])C([H])([H])C([H])([H])[C@]3([H])[C@@]4(C([H])([H])[H])C([H])([H])C5C6=C([H])C([H])=C([H])C([H])=C6N([H])C=5C(C([H])([H])[H])(C([H])([H])[H])[C@]4([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@]1(C([H])([H])[H])C([H])([H])C2([H])[H] |
氢键供体数量 | 2 |
氢键受体数量 | 1 |
重原子数量 | 38 |
可旋转化学键数量 | 2 |
复杂度 | 986 |
疏水参数计算参考值(XlogP) | 10.3 |
拓扑分子极性表面积 | 36 |