Molecule ID: mol2411
SMILES: Cc1cc([N+](=O)[O-])ccc1N
InChI: InChI=1S/C7H8N2O2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.94 | IUPAC digitized pKa | 1 » 0 |
| 1.04 | QSARToolbox | 1 » 0 |
| 1.04 | IUPAC digitized pKa | 1 » 0 |
| 1.04 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 1.04 | OCHEM | 1 » 0 |
| 1.04 | OCHEM | 1 » 0 |
| 1.04 | Hunt | 1 » 0 |
| 1.04 | OCHEM | 1 » 0 |
| 1.04 | OCHEM | 1 » 0 |
| 1.04 | OCHEM | 1 » 0 |
| 1.04 | AttenGpKa training set | 1 » 0 |
| 1.40 | QSARToolbox | 1 » 0 |
| 1.97 | Datawarrior | 1 » 0 |
| 1.97 | OCHEM | 1 » 0 |
| 2.68 | QSARToolbox | 1 » 0 |