Molecule ID: mol12513
SMILES: CC(CN)C(N)=NO
InChI: InChI=1S/C4H11N3O/c1-3(2-5)4(6)7-8/h3,8H,2,5H2,1H3,(H2,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.65 | Datawarrior | 2 » 1 |
| 3.65 | QSARToolbox | 2 » 1 |
| 9.15 | OCHEM | 1 » 0 |
| 9.15 | Datawarrior | 1 » 0 |