Molecule ID: mol1701
SMILES: CNc1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C7H8N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5,8H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.55 | IUPAC digitized pKa | 1 » 0 |
| 0.55 | OCHEM | 1 » 0 |
| 0.55 | Hunt | 1 » 0 |
| 0.61 | AttenGpKa training set | 1 » 0 |