Molecule ID: mol37335
SMILES: O=C(O)[C@H]1O[C@@H](Oc2ccc3nc(O)ccc3c2)[C@H](O)[C@@H](O)[C@@H]1O
InChI: InChI=1S/C15H15NO8/c17-9-4-1-6-5-7(2-3-8(6)16-9)23-15-12(20)10(18)11(19)13(24-15)14(21)22/h1-5,10-13,15,18-20H,(H,16,17)(H,21,22)/t10-,11-,12+,13-,15+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.07 | QSARToolbox | 0 » -1 |