Molecule ID: mol36178
SMILES: O=C(O)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChI: InChI=1S/C9H7N3O7/c13-8(14)4-10-9(15)5-1-6(11(16)17)3-7(2-5)12(18)19/h1-3H,4H2,(H,10,15)(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.30 | QSARToolbox | 0 » -1 |