Molecule ID: mol1433
SMILES: Cc1cc(O)cc(C)c1[N+](=O)[O-]
InChI: InChI=1S/C8H9NO3/c1-5-3-7(10)4-6(2)8(5)9(11)12/h3-4,10H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.24 | QSARToolbox | 0 » -1 |
| 8.24 | QSARToolbox | 0 » -1 |
| 8.24 | OCHEM | 0 » -1 |
| 8.24 | OCHEM | 0 » -1 |
| 8.24 | OCHEM | 0 » -1 |
| 8.25 | Datawarrior | 0 » -1 |
| 8.25 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.25 | OCHEM | 0 » -1 |
| 8.25 | Hunt | 0 » -1 |
| 8.25 | QSARToolbox | 0 » -1 |
| 8.25 | QSARToolbox | 0 » -1 |
| 8.25 | AttenGpKa training set | 0 » -1 |