Inchi | 1S/C17H14F3NO4/c18-12-8-14(20)13(19)6-11(12)7-15(16(22)23)21-17(24)25-9-10-4-2-1-3-5-10/h1-6,8,15H,7,9H2,(H,21,24)(H,22,23)/t15-/m0/s1 |
InChIKey | CYQKVDZQYUQHJQ-HNNXBMFYSA-N |
SMILES | FC1=C([H])C(=C(C([H])=C1C([H])([H])[C@@]([H])(C(=O)O[H])N([H])C(=O)OC([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H])F)F |
氢键供体数量 | 2 |
氢键受体数量 | 7 |
重原子数量 | 25 |
可旋转化学键数量 | 7 |
复杂度 | 459 |
疏水参数计算参考值(XlogP) | 3.3 |
拓扑分子极性表面积 | 75.6 |