Molecule ID: mol10253
SMILES: O=C(NO)C1CCCCC1
InChI: InChI=1S/C7H13NO2/c9-7(8-10)6-4-2-1-3-5-6/h6,10H,1-5H2,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.70 | QSARToolbox | 0 » -1 |
| 9.70 | AttenGpKa training set | 0 » -1 |
| 9.75 | IUPAC digitized pKa | 0 » -1 |
| 9.87 | QSARToolbox | 0 » -1 |
| 9.87 | QSARToolbox | 0 » -1 |
| 9.87 | QSARToolbox | 0 » -1 |
| 9.87 | OCHEM | 0 » -1 |
| 9.87 | Datawarrior | 0 » -1 |