Molecule ID: mol13761
SMILES: [O-][n+]1ccc(NO)c2ccccc21
InChI: InChI=1S/C9H8N2O2/c12-10-8-5-6-11(13)9-4-2-1-3-7(8)9/h1-6,10,12H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.52 | Datawarrior | 0 » -1 |
| 9.52 | OCHEM | 0 » -1 |
| 9.56 | AttenGpKa training set | 0 » -1 |