Molecule ID: mol10229
SMILES: O=C(O)C1CCC(=NO)C(=NO)C1
InChI: InChI=1S/C7H10N2O4/c10-7(11)4-1-2-5(8-12)6(3-4)9-13/h4,12-13H,1-3H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.85 | QSARToolbox | 0 » -1 |
| 4.85 | IUPAC digitized pKa | 0 » -1 |
| 10.45 | IUPAC digitized pKa | -1 » -2 |
| 12.37 | IUPAC digitized pKa | -2 » -3 |