Molecule ID: mol5847
SMILES: CNCCC(=N)NO
InChI: InChI=1S/C4H11N3O/c1-6-3-2-4(5)7-8/h6,8H,2-3H2,1H3,(H2,5,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.60 | QSARToolbox | 2 » 1 |
| 3.60 | IUPAC digitized pKa | 2 » 1 |
| 3.60 | Datawarrior | 2 » 1 |
| 9.60 | IUPAC digitized pKa | 1 » 0 |
| 9.60 | Datawarrior | 1 » 0 |
| 9.60 | OCHEM | 1 » 0 |