Molecule ID: mol5585
SMILES: NC(=O)c1cccc([N+](=O)[O-])c1
InChI: InChI=1S/C7H6N2O3/c8-7(10)5-2-1-3-6(4-5)9(11)12/h1-4H,(H2,8,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -2.42 | AttenGpKa training set | 1 » 0 |
| -1.88 | IUPAC digitized pKa | 1 » 0 |