Molecule ID: mol2218
SMILES: CNc1ccccc1[N+](=O)[O-]
InChI: InChI=1S/C7H8N2O2/c1-8-6-4-2-3-5-7(6)9(10)11/h2-5,8H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.62 | IUPAC digitized pKa | 1 » 0 |
| -0.62 | OCHEM | 1 » 0 |
| -0.62 | Hunt | 1 » 0 |
| -0.49 | AttenGpKa training set | 1 » 0 |