Molecule ID: mol13471
SMILES: O=[N+]([O-])c1ccc2[nH]c(CO)nc2c1
InChI: InChI=1S/C8H7N3O3/c12-4-8-9-6-2-1-5(11(13)14)3-7(6)10-8/h1-3,12H,4H2,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.21 | Datawarrior | 1 » 0 |
| 2.21 | OCHEM | 1 » 0 |
| 2.21 | QSARToolbox | 1 » 0 |