Molecule ID: mol1212
SMILES: Nc1ccc2cc([N+](=O)[O-])ccc2c1
InChI: InChI=1S/C10H8N2O2/c11-9-3-1-8-6-10(12(13)14)4-2-7(8)5-9/h1-6H,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.62 | QSARToolbox | 1 » 0 |
| 2.62 | IUPAC digitized pKa | 1 » 0 |
| 2.62 | Hunt | 1 » 0 |
| 2.62 | OCHEM | 1 » 0 |
| 2.62 | OCHEM | 1 » 0 |
| 2.62 | AttenGpKa training set | 1 » 0 |
| 2.90 | Datawarrior | 1 » 0 |
| 2.90 | QSARToolbox | 1 » 0 |
| 2.90 | OCHEM | 1 » 0 |