Molecule ID: mol2109
SMILES: Nc1cc([N+](=O)[O-])cc2ccccc12
InChI: InChI=1S/C10H8N2O2/c11-10-6-8(12(13)14)5-7-3-1-2-4-9(7)10/h1-6H,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.07 | IUPAC digitized pKa | 1 » 0 |
| 2.07 | Hunt | 1 » 0 |
| 2.07 | OCHEM | 1 » 0 |
| 2.07 | AttenGpKa training set | 1 » 0 |
| 2.22 | QSARToolbox | 1 » 0 |
| 2.24 | Datawarrior | 1 » 0 |
| 2.24 | OCHEM | 1 » 0 |
| 2.27 | QSARToolbox | 1 » 0 |
| 2.70 | QSARToolbox | 1 » 0 |