Molecule ID: mol10368
SMILES: C[n+]1ccccc1C(=O)NO
InChI: InChI=1S/C7H8N2O2/c1-9-5-3-2-4-6(9)7(10)8-11/h2-5H,1H3,(H-,8,10,11)/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.25 | IUPAC digitized pKa | 1 » 0 |
| 5.50 | IUPAC digitized pKa | 1 » 0 |
| 5.73 | AttenGpKa training set | 1 » 0 |
| 5.73 | QSARToolbox | 1 » 0 |