Molecule ID: mol31397
SMILES: O=C(CC(=O)NO)NO
InChI: InChI=1S/C3H6N2O4/c6-2(4-8)1-3(7)5-9/h8-9H,1H2,(H,4,6)(H,5,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.14 | AttenGpKa training set | 0 » -1 |
| 8.14 | QSARToolbox | 0 » -1 |
| 8.14 | QSARToolbox | 0 » -1 |
| 9.63 | AttenGpKa training set | -1 » -2 |