Molecule ID: mol1205
SMILES: Nc1cccc2c([N+](=O)[O-])cccc12
InChI: InChI=1S/C10H8N2O2/c11-9-5-1-4-8-7(9)3-2-6-10(8)12(13)14/h1-6H,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.73 | IUPAC digitized pKa | 1 » 0 |
| 2.73 | Hunt | 1 » 0 |
| 2.73 | OCHEM | 1 » 0 |
| 2.73 | AttenGpKa training set | 1 » 0 |
| 2.73 | QSARToolbox | 1 » 0 |
| 2.80 | QSARToolbox | 1 » 0 |
| 2.80 | Datawarrior | 1 » 0 |
| 2.80 | OCHEM | 1 » 0 |