Molecule ID: mol1278
SMILES: O=C(O)Cc1ccccc1[N+](=O)[O-]
InChI: InChI=1S/C8H7NO4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4H,5H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.00 | OCHEM | 0 » -1 |
| 4.00 | OCHEM | 0 » -1 |
| 4.00 | OCHEM | 0 » -1 |
| 4.00 | QSARToolbox | 0 » -1 |
| 4.00 | AttenGpKa training set | 0 » -1 |
| 4.00 | OCHEM | 0 » -1 |
| 4.00 | Hunt | 0 » -1 |