Molecule ID: mol1037
SMILES: Cc1cc(N)cc(C)c1[N+](=O)[O-]
InChI: InChI=1S/C8H10N2O2/c1-5-3-7(9)4-6(2)8(5)10(11)12/h3-4H,9H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.54 | QSARToolbox | 1 » 0 |
| 2.54 | QSARToolbox | 1 » 0 |
| 2.54 | IUPAC digitized pKa | 1 » 0 |
| 2.54 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 2.54 | OCHEM | 1 » 0 |
| 2.54 | OCHEM | 1 » 0 |
| 2.56 | OCHEM | 1 » 0 |
| 2.56 | Datawarrior | 1 » 0 |
| 2.57 | OCHEM | 1 » 0 |
| 2.59 | QSARToolbox | 1 » 0 |
| 2.59 | QSARToolbox | 1 » 0 |
| 2.59 | IUPAC digitized pKa | 1 » 0 |
| 2.59 | Hunt | 1 » 0 |
| 2.59 | AttenGpKa training set | 1 » 0 |