Molecule ID: mol13899
SMILES: COc1ccc([N+](=O)[O-])c(CN)c1
InChI: InChI=1S/C8H10N2O3/c1-13-7-2-3-8(10(11)12)6(4-7)5-9/h2-4H,5,9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.72 | Datawarrior | 1 » 0 |
| 8.72 | AttenGpKa training set | 1 » 0 |
| 8.72 | QSARToolbox | 1 » 0 |
| 8.72 | OCHEM | 1 » 0 |