Molecule ID: mol678
SMILES: CCCCCC(=O)NO
InChI: InChI=1S/C6H13NO2/c1-2-3-4-5-6(8)7-9/h9H,2-5H2,1H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.48 | QSARToolbox | 0 » -1 |
| 9.48 | IUPAC digitized pKa | 0 » -1 |
| 9.58 | OCHEM | 0 » -1 |
| 9.58 | Datawarrior | 0 » -1 |
| 9.65 | QSARToolbox | 0 » -1 |
| 9.65 | QSARToolbox | 0 » -1 |
| 9.66 | QSARToolbox | 0 » -1 |
| 9.70 | QSARToolbox | 0 » -1 |
| 9.70 | AttenGpKa training set | 0 » -1 |
| 9.75 | IUPAC digitized pKa | 0 » -1 |
| 9.75 | OCHEM | 0 » -1 |
| 9.75 | Hunt | 0 » -1 |
| 10.93 | QSARToolbox | 0 » -1 |