Molecule ID: mol8958
SMILES: NCC(=O)NO
InChI: InChI=1S/C2H6N2O2/c3-1-2(5)4-6/h6H,1,3H2,(H,4,5)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.35 | QSARToolbox | 1 » 0 |
| 7.35 | QSARToolbox | 1 » 0 |
| 7.35 | QSARToolbox | 1 » 0 |
| 7.35 | IUPAC digitized pKa | 1 » 0 |
| 7.40 | IUPAC digitized pKa | 1 » 0 |
| 7.40 | QSARToolbox | 1 » 0 |
| 7.40 | QSARToolbox | 1 » 0 |
| 7.70 | IUPAC digitized pKa | 1 » 0 |
| 7.70 | AttenGpKa training set | 1 » 0 |
| 7.71 | QSARToolbox | 1 » 0 |
| 7.80 | QSARToolbox | 1 » 0 |
| 7.81 | QSARToolbox | 1 » 0 |
| 9.32 | AttenGpKa training set | 0 » -1 |
| 9.40 | QSARToolbox | 0 » -1 |