Molecule ID: mol8949
SMILES: O=C(NO)C(=O)NO
InChI: InChI=1S/C2H4N2O4/c5-1(3-7)2(6)4-8/h7-8H,(H,3,5)(H,4,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.55 | IUPAC digitized pKa | 0 » -1 |
| 6.55 | AttenGpKa training set | 0 » -1 |
| 6.55 | QSARToolbox | 0 » -1 |
| 6.81 | QSARToolbox | 0 » -1 |
| 6.81 | QSARToolbox | 0 » -1 |
| 6.81 | OCHEM | 0 » -1 |
| 6.90 | IUPAC digitized pKa | 0 » -1 |
| 6.90 | QSARToolbox | 0 » -1 |
| 6.94 | OCHEM | 0 » -1 |
| 6.97 | QSARToolbox | 0 » -1 |
| 6.97 | IUPAC digitized pKa | 0 » -1 |
| 6.98 | QSARToolbox | 0 » -1 |
| 8.50 | QSARToolbox | -1 » -2 |
| 8.63 | IUPAC digitized pKa | -1 » -2 |
| 8.63 | AttenGpKa training set | -1 » -2 |
| 8.63 | QSARToolbox | -1 » -2 |
| 8.66 | QSARToolbox | -1 » -2 |
| 8.98 | QSARToolbox | -1 » -2 |
| 9.00 | IUPAC digitized pKa | -1 » -2 |
| 9.00 | QSARToolbox | -1 » -2 |
| 10.20 | QSARToolbox | -1 » -2 |