Molecule ID: mol1797
SMILES: COC(=O)CN
InChI: InChI=1S/C3H7NO2/c1-6-3(5)2-4/h2,4H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.00 | IUPAC digitized pKa | 1 » 0 |
| 7.33 | IUPAC digitized pKa | 1 » 0 |
| 7.44 | IUPAC digitized pKa | 1 » 0 |
| 7.51 | QSARToolbox | 1 » 0 |
| 7.59 | IUPAC digitized pKa | 1 » 0 |
| 7.59 | QSARToolbox | 1 » 0 |
| 7.63 | OCHEM | 1 » 0 |
| 7.64 | OCHEM | 1 » 0 |
| 7.64 | Datawarrior | 1 » 0 |
| 7.65 | QSARToolbox | 1 » 0 |
| 7.66 | QSARToolbox | 1 » 0 |
| 7.66 | IUPAC digitized pKa | 1 » 0 |
| 7.66 | OCHEM | 1 » 0 |
| 7.66 | OCHEM | 1 » 0 |
| 7.66 | Hunt | 1 » 0 |
| 7.66 | OCHEM | 1 » 0 |
| 7.73 | IUPAC digitized pKa | 1 » 0 |
| 7.73 | Baltruschat ChEMBL | 1 » 0 |
| 7.75 | AttenGpKa training set | 1 » 0 |
| 7.80 | QSARToolbox | 1 » 0 |