Molecule ID: mol9783
SMILES: ON=C1CCCCC1=NO
InChI: InChI=1S/C6H10N2O2/c9-7-5-3-1-2-4-6(5)8-10/h9-10H,1-4H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.10 | IUPAC digitized pKa | -1 » -2 |
| 10.51 | QSARToolbox | 0 » -1 |
| 10.53 | OCHEM | 0 » -1 |
| 10.60 | IUPAC digitized pKa | -1 » -2 |
| 10.60 | QSARToolbox | 0 » -1 |
| 10.60 | QSARToolbox | 0 » -1 |
| 10.60 | QSARToolbox | 0 » -1 |
| 10.68 | IUPAC digitized pKa | -1 » -2 |
| 10.70 | IUPAC digitized pKa | -1 » -2 |
| 11.92 | IUPAC digitized pKa | 0 » -1 |
| 12.16 | IUPAC digitized pKa | 0 » -1 |
| 12.40 | IUPAC digitized pKa | 0 » -1 |