Molecule ID: mol1036
SMILES: Cc1cc([N+](=O)[O-])cc(C)c1N
InChI: InChI=1S/C8H10N2O2/c1-5-3-7(10(11)12)4-6(2)8(5)9/h3-4H,9H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.98 | IUPAC digitized pKa | 1 » 0 |
| 0.98 | Datawarrior | 1 » 0 |
| 0.98 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 0.98 | OCHEM | 1 » 0 |
| 0.98 | Hunt | 1 » 0 |
| 0.98 | OCHEM | 1 » 0 |
| 0.98 | OCHEM | 1 » 0 |
| 0.98 | AttenGpKa training set | 1 » 0 |
| 0.98 | QSARToolbox | 1 » 0 |
| 0.98 | QSARToolbox | 1 » 0 |
| 0.98 | OCHEM | 1 » 0 |