Molecule ID: mol1919
SMILES: Cc1cc([N+](=O)[O-])ccc1C(=O)O
InChI: InChI=1S/C8H7NO4/c1-5-4-6(9(12)13)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.87 | QSARToolbox | 0 » -1 |
| 2.91 | Datawarrior | 0 » -1 |
| 2.91 | OCHEM | 0 » -1 |
| 2.95 | OCHEM | 0 » -1 |
| 2.95 | Hunt | 0 » -1 |
| 2.95 | OCHEM | 0 » -1 |
| 2.95 | QSARToolbox | 0 » -1 |
| 2.95 | QSARToolbox | 0 » -1 |