Molecule ID: mol5973
SMILES: CC(=O)c1ccc(N)c([N+](=O)[O-])c1
InChI: InChI=1S/C8H8N2O3/c1-5(11)6-2-3-7(9)8(4-6)10(12)13/h2-4H,9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -2.85 | OCHEM | 1 » 0 |
| -2.85 | AttenGpKa training set | 1 » 0 |
| -2.85 | QSARToolbox | 1 » 0 |