Molecule ID: mol1562
SMILES: NCc1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C7H8N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.38 | IUPAC digitized pKa | 1 » 0 |
| 8.38 | QSARToolbox | 1 » 0 |
| 8.49 | AttenGpKa training set | 1 » 0 |
| 8.50 | IUPAC digitized pKa | 1 » 0 |
| 8.50 | Datawarrior | 1 » 0 |
| 8.50 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 8.50 | OCHEM | 1 » 0 |
| 8.50 | Hunt | 1 » 0 |
| 8.50 | QSARToolbox | 1 » 0 |
| 8.50 | QSARToolbox | 1 » 0 |
| 8.51 | OCHEM | 1 » 0 |
| 8.51 | OCHEM | 1 » 0 |
| 8.51 | IUPAC digitized pKa | 1 » 0 |
| 8.51 | QSARToolbox | 1 » 0 |