Molecule ID: mol34037
SMILES: O[C@@H]1[C@H](O)[C@@H](O)c2ccc3cc4ccc5ccccc5c4nc3c2[C@@H]1O
InChI: InChI=1S/C21H17NO4/c23-18-14-8-7-12-9-11-6-5-10-3-1-2-4-13(10)16(11)22-17(12)15(14)19(24)21(26)20(18)25/h1-9,18-21,23-26H/t18-,19-,20+,21-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.45 | QSARToolbox | 1 » 0 |