Molecule ID: mol26690
SMILES: Nc1c2ccccc2nc2cc([N+](=O)[O-])ccc12
InChI: InChI=1S/C13H9N3O2/c14-13-9-3-1-2-4-11(9)15-12-7-8(16(17)18)5-6-10(12)13/h1-7H,(H2,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.80 | AttenGpKa training set | 1 » 0 |