Molecule ID: mol1206
SMILES: Nc1cccc2cc([N+](=O)[O-])ccc12
InChI: InChI=1S/C10H8N2O2/c11-10-3-1-2-7-6-8(12(13)14)4-5-9(7)10/h1-6H,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.89 | IUPAC digitized pKa | 1 » 0 |
| 2.89 | Hunt | 1 » 0 |
| 2.89 | OCHEM | 1 » 0 |
| 2.89 | AttenGpKa training set | 1 » 0 |
| 2.89 | QSARToolbox | 1 » 0 |
| 3.15 | Datawarrior | 1 » 0 |
| 3.15 | QSARToolbox | 1 » 0 |
| 3.15 | OCHEM | 1 » 0 |