Molecule ID: mol1702
SMILES: Cc1ccc([N+](=O)[O-])cc1N
InChI: InChI=1S/C7H8N2O2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.30 | QSARToolbox | 1 » 0 |
| 2.30 | IUPAC digitized pKa | 1 » 0 |
| 2.31 | AttenGpKa training set | 1 » 0 |
| 2.32 | QSARToolbox | 1 » 0 |
| 2.32 | IUPAC digitized pKa | 1 » 0 |
| 2.32 | OCHEM | 1 » 0 |
| 2.32 | OCHEM | 1 » 0 |
| 2.35 | IUPAC digitized pKa | 1 » 0 |
| 2.35 | OCHEM | 1 » 0 |
| 2.35 | OCHEM | 1 » 0 |
| 2.35 | Hunt | 1 » 0 |
| 2.35 | OCHEM | 1 » 0 |
| 2.35 | QSARToolbox | 1 » 0 |
| 2.35 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |