Molecule ID: mol13314
SMILES: CN(C)/C=N/c1cccc([N+](=O)[O-])c1
InChI: InChI=1S/C9H11N3O2/c1-11(2)7-10-8-4-3-5-9(6-8)12(13)14/h3-7H,1-2H3/b10-7+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.29 | Datawarrior | 1 » 0 |
| 7.29 | AttenGpKa training set | 1 » 0 |