Molecule ID: mol9155
SMILES: O=C1CCC(=O)N1
InChI: InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.38 | IUPAC digitized pKa | 0 » -1 |
| 9.51 | QSARToolbox | 0 » -1 |
| 9.59 | Datawarrior | 0 » -1 |
| 9.59 | OCHEM | 0 » -1 |
| 9.62 | QSARToolbox | 0 » -1 |
| 9.62 | QSARToolbox | 0 » -1 |
| 9.62 | QSARToolbox | 0 » -1 |
| 9.62 | IUPAC digitized pKa | 0 » -1 |
| 9.66 | QSARToolbox | 0 » -1 |
| 9.70 | IUPAC digitized pKa | 0 » -1 |
| 9.88 | AttenGpKa training set | 0 » -1 |