Molecule ID: mol10245
SMILES: ON=C1CCCCCC1=NO
InChI: InChI=1S/C7H12N2O2/c10-8-6-4-2-1-3-5-7(6)9-11/h10-11H,1-5H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.47 | QSARToolbox | 0 » -1 |
| 10.65 | IUPAC digitized pKa | 0 » -1 |
| 10.70 | QSARToolbox | 0 » -1 |
| 10.70 | QSARToolbox | 0 » -1 |
| 10.70 | QSARToolbox | 0 » -1 |
| 10.70 | IUPAC digitized pKa | 0 » -1 |
| 10.70 | OCHEM | 0 » -1 |
| 12.21 | IUPAC digitized pKa | -1 » -2 |
| 12.30 | IUPAC digitized pKa | -1 » -2 |