Molecule ID: mol1072
SMILES: COc1cc(N)cc([N+](=O)[O-])c1
InChI: InChI=1S/C7H8N2O3/c1-12-7-3-5(8)2-6(4-7)9(10)11/h2-4H,8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.11 | QSARToolbox | 1 » 0 |
| 2.11 | IUPAC digitized pKa | 1 » 0 |
| 2.11 | Hunt | 1 » 0 |
| 2.11 | OCHEM | 1 » 0 |
| 2.11 | OCHEM | 1 » 0 |
| 2.11 | AttenGpKa training set | 1 » 0 |