Molecule ID: mol199
SMILES: CCOC(=O)CN
InChI: InChI=1S/C4H9NO2/c1-2-7-4(6)3-5/h2-3,5H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.84 | QSARToolbox | 1 » 0 |
| 7.09 | IUPAC digitized pKa | 1 » 0 |
| 7.10 | IUPAC digitized pKa | 1 » 0 |
| 7.25 | IUPAC digitized pKa | 1 » 0 |
| 7.38 | IUPAC digitized pKa | 1 » 0 |
| 7.40 | IUPAC digitized pKa | 1 » 0 |
| 7.41 | IUPAC digitized pKa | 1 » 0 |
| 7.48 | IUPAC digitized pKa | 1 » 0 |
| 7.56 | IUPAC digitized pKa | 1 » 0 |
| 7.58 | QSARToolbox | 1 » 0 |
| 7.60 | OCHEM | 1 » 0 |
| 7.60 | Settimo | 1 » 0 |
| 7.64 | IUPAC digitized pKa | 1 » 0 |
| 7.65 | IUPAC digitized pKa | 1 » 0 |
| 7.69 | IUPAC digitized pKa | 1 » 0 |
| 7.70 | QSARToolbox | 1 » 0 |
| 7.72 | IUPAC digitized pKa | 1 » 0 |
| 7.73 | QSARToolbox | 1 » 0 |
| 7.74 | OCHEM | 1 » 0 |
| 7.74 | Datawarrior | 1 » 0 |
| 7.75 | IUPAC digitized pKa | 1 » 0 |
| 7.75 | QSARToolbox | 1 » 0 |
| 7.79 | AttenGpKa training set | 1 » 0 |
| 7.83 | IUPAC digitized pKa | 1 » 0 |
| 7.84 | IUPAC digitized pKa | 1 » 0 |
| 7.88 | QSARToolbox | 1 » 0 |
| 7.90 | QSARToolbox | 1 » 0 |
| 7.95 | QSARToolbox | 1 » 0 |
| 8.22 | QSARToolbox | 1 » 0 |
| 8.38 | IUPAC digitized pKa | 1 » 0 |