Molecule ID: mol3441
SMILES: NC(=O)c1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C7H6N2O3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4H,(H2,8,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -3.28 | AttenGpKa training set | 1 » 0 |
| -2.58 | IUPAC digitized pKa | 1 » 0 |