Molecule ID: mol2185
SMILES: NCc1cccc([N+](=O)[O-])c1
InChI: InChI=1S/C7H8N2O2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H,5,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.52 | IUPAC digitized pKa | 1 » 0 |
| 8.52 | QSARToolbox | 1 » 0 |
| 8.59 | OCHEM | 1 » 0 |
| 8.60 | AttenGpKa training set | 1 » 0 |
| 8.65 | QSARToolbox | 1 » 0 |
| 8.65 | IUPAC digitized pKa | 1 » 0 |
| 8.65 | Hunt | 1 » 0 |