Molecule ID: mol17721
SMILES: N#CNC(=O)c1ccc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)cc1
InChI: InChI=1S/C20H20N2O7/c21-10-22-19(27)13-3-1-11(2-4-13)12-5-7-14(8-6-12)28-20-18(26)17(25)16(24)15(9-23)29-20/h1-8,15-18,20,23-26H,9H2,(H,22,27)/t15-,16-,17+,18+,20+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.50 | Baltruschat ChEMBL | 0 » -1 |