Molecule ID: mol6040
SMILES: N=C(NO)c1ccccc1N
InChI: InChI=1S/C7H9N3O/c8-6-4-2-1-3-5(6)7(9)10-11/h1-4,11H,8H2,(H2,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.20 | Datawarrior | 2 » 1 |
| 2.20 | QSARToolbox | 2 » 1 |
| 4.50 | Datawarrior | 2 » 1 |
| 4.50 | OCHEM | 2 » 1 |