Molecule ID: mol4508
SMILES: Cc1nc2ccc([N+](=O)[O-])cc2n1C
InChI: InChI=1S/C9H9N3O2/c1-6-10-8-4-3-7(12(13)14)5-9(8)11(6)2/h3-5H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.20 | IUPAC digitized pKa | 1 » 0 |
| 4.20 | OCHEM | 1 » 0 |
| 4.20 | OCHEM | 1 » 0 |
| 4.20 | AttenGpKa training set | 1 » 0 |