Molecule ID: mol29369
SMILES: O=C(O)CNC(=O)c1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C9H8N2O5/c12-8(13)5-10-9(14)6-1-3-7(4-2-6)11(15)16/h1-4H,5H2,(H,10,14)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.50 | AttenGpKa training set | 0 » -1 |