MDL | MFCD27955981 |
---|---|
InChIKey | YNELJETWNMPEEH-UZLBHIALSA-N |
Inchi | 1S/C23H29NO4/c1-16(21(25)26)14-20(24-22(27)28-23(2,3)4)15-17-10-12-19(13-11-17)18-8-6-5-7-9-18/h5-13,16,20H,14-15H2,1-4H3,(H,24,27)(H,25,26)/t16-,20+/m1/s1 |
SMILES | O(C(N([H])[C@]([H])(C([H])([H])C1C([H])=C([H])C(C2C([H])=C([H])C([H])=C([H])C=2[H])=C([H])C=1[H])C([H])([H])[C@]([H])(C(=O)O[H])C([H])([H])[H])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H] |
LogP | 5.29110 |
---|---|
PSA | 75.63000 |
精确分子量 | 383.21000 |
---|---|
氢键供体数量 | 2 |
氢键受体数量 | 4 |
可旋转化学键数量 | 9 |
重原子数量 | 28 |
复杂度 | 499 |
拓扑分子极性表面积 | 75.6 |