Molecule ID: mol9226
SMILES: CC(=NO)C(CO)=NO
InChI: InChI=1S/C4H8N2O3/c1-3(5-8)4(2-7)6-9/h7-9H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.05 | IUPAC digitized pKa | -1 » -2 |
| 10.10 | Datawarrior | -1 » -2 |
| 10.10 | OCHEM | -1 » -2 |
| 10.10 | QSARToolbox | -1 » -2 |
| 10.10 | QSARToolbox | -1 » -2 |
| 10.10 | QSARToolbox | -1 » -2 |
| 12.10 | Datawarrior | -2 » -3 |
| 12.10 | QSARToolbox | -2 » -3 |
| 12.10 | QSARToolbox | -2 » -3 |