InChIKey | WULALRGFFYJWOL-UHFFFAOYSA-N |
---|---|
Inchi | 1S/C28H17BrF12N2O2/c29-19-11-15(25(32,27(36,37)38)28(39,40)41)10-18(26(33,34)35)22(19)42-23(44)17-2-1-3-20(21(17)31)43(12-13-4-5-13)24(45)14-6-8-16(30)9-7-14/h1-3,6-11,13H,4-5,12H2,(H,42,44) |
SMILES | BrC1=CC(=CC(C(F)(F)F)=C1NC(C1C=CC=C(C=1F)N(C(C1C=CC(=CC=1)F)=O)CC1CC1)=O)C(C(F)(F)F)(C(F)(F)F)F |
氢键供体数量 | 1 |
---|---|
氢键受体数量 | 14 |
可旋转化学键数量 | 7 |
重原子数量 | 45 |
复杂度 | 1040 |
疏水参数计算参考值(XlogP) | 8.5 |
拓扑分子极性表面积 | 49.4 |