Molecule ID: mol5370
SMILES: CN(C)CC(=O)O
InChI: InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.94 | IUPAC digitized pKa | 1 » 0 |
| 1.99 | Datawarrior | 1 » 0 |
| 1.99 | OCHEM | 1 » 0 |
| 1.99 | AttenGpKa training set | 1 » 0 |
| 2.06 | QSARToolbox | 1 » 0 |
| 2.06 | IUPAC digitized pKa | 1 » 0 |
| 2.08 | QSARToolbox | 1 » 0 |
| 2.08 | QSARToolbox | 1 » 0 |
| 2.08 | IUPAC digitized pKa | 1 » 0 |
| 2.08 | IUPAC digitized pKa | 1 » 0 |
| 9.58 | IUPAC digitized pKa | 0 » -1 |
| 9.76 | IUPAC digitized pKa | 0 » -1 |
| 9.80 | IUPAC digitized pKa | 0 » -1 |
| 9.80 | IUPAC digitized pKa | 0 » -1 |
| 9.80 | IUPAC digitized pKa | 0 » -1 |
| 9.80 | QSARToolbox | 0 » -1 |
| 9.81 | Datawarrior | 0 » -1 |
| 9.81 | OCHEM | 0 » -1 |
| 9.83 | AttenGpKa training set | 0 » -1 |
| 9.87 | IUPAC digitized pKa | 0 » -1 |
| 9.88 | IUPAC digitized pKa | 0 » -1 |
| 9.94 | IUPAC digitized pKa | 0 » -1 |
| 10.13 | IUPAC digitized pKa | 0 » -1 |
| 10.34 | IUPAC digitized pKa | 0 » -1 |