Molecule ID: mol30676
SMILES: COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
InChI: InChI=1S/C7H6N2O6/c1-15-6-3-4(8(11)12)2-5(7(6)10)9(13)14/h2-3,10H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.38 | QSARToolbox | 0 » -1 |
| 3.38 | QSARToolbox | 0 » -1 |