Molecule ID: mol3186
SMILES: NC(CC(N)=NO)=NO
InChI: InChI=1S/C3H8N4O2/c4-2(6-8)1-3(5)7-9/h8-9H,1H2,(H2,4,6)(H2,5,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.43 | OCHEM | 2 » 1 |
| 4.43 | OCHEM | 2 » 1 |
| 4.73 | IUPAC digitized pKa | 2 » 1 |
| 4.77 | QSARToolbox | 2 » 1 |
| 4.77 | Datawarrior | 2 » 1 |
| 4.77 | OCHEM | 2 » 1 |
| 4.77 | AttenGpKa training set | 2 » 1 |