Molecule ID: mol2130
SMILES: O=C(O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChI: InChI=1S/C8H6N2O6/c11-8(12)3-5-1-2-6(9(13)14)4-7(5)10(15)16/h1-2,4H,3H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.49 | AttenGpKa training set | 0 » -1 |
| 3.50 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.50 | OCHEM | 0 » -1 |
| 3.50 | OCHEM | 0 » -1 |
| 3.50 | OCHEM | 0 » -1 |
| 3.50 | QSARToolbox | 0 » -1 |
| 3.50 | QSARToolbox | 0 » -1 |
| 3.50 | Hunt | 0 » -1 |