Molecule ID: mol5833
SMILES: N=C(CCN)NO
InChI: InChI=1S/C3H9N3O/c4-2-1-3(5)6-7/h7H,1-2,4H2,(H2,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.75 | IUPAC digitized pKa | 2 » 1 |
| 3.75 | Datawarrior | 2 » 1 |
| 3.75 | QSARToolbox | 2 » 1 |
| 9.15 | OCHEM | 1 » 0 |
| 9.15 | IUPAC digitized pKa | 1 » 0 |
| 9.15 | Datawarrior | 1 » 0 |