Molecule ID: mol4507
SMILES: Cc1nc2cc([N+](=O)[O-])ccc2n1C
InChI: InChI=1S/C9H9N3O2/c1-6-10-8-5-7(12(13)14)3-4-9(8)11(6)2/h3-5H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.40 | IUPAC digitized pKa | 1 » 0 |
| 4.40 | OCHEM | 1 » 0 |
| 4.40 | OCHEM | 1 » 0 |
| 4.40 | AttenGpKa training set | 1 » 0 |