Molecule ID: mol5261
SMILES: NNC(=O)c1cccc(N)c1
InChI: InChI=1S/C7H9N3O/c8-6-3-1-2-5(4-6)7(11)10-9/h1-4H,8-9H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.57 | QSARToolbox | 2 » 1 |
| 2.57 | Datawarrior | 2 » 1 |
| 3.16 | OCHEM | 2 » 1 |
| 3.75 | Datawarrior | 1 » 0 |
| 12.45 | Datawarrior | 0 » -1 |
| 12.45 | OCHEM | 0 » -1 |