Molecule ID: mol189
SMILES: NCCC(=O)O
InChI: InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.51 | QSARToolbox | 1 » 0 |
| 3.51 | QSARToolbox | 1 » 0 |
| 3.52 | IUPAC digitized pKa | 1 » 0 |
| 3.52 | IUPAC digitized pKa | 1 » 0 |
| 3.52 | QSARToolbox | 1 » 0 |
| 3.52 | QSARToolbox | 1 » 0 |
| 3.52 | QSARToolbox | 1 » 0 |
| 3.52 | QSARToolbox | 1 » 0 |
| 3.52 | IUPAC digitized pKa | 1 » 0 |
| 3.52 | IUPAC digitized pKa | 1 » 0 |
| 3.53 | IUPAC digitized pKa | 1 » 0 |
| 3.54 | QSARToolbox | 1 » 0 |
| 3.54 | QSARToolbox | 1 » 0 |
| 3.54 | IUPAC digitized pKa | 1 » 0 |
| 3.55 | QSARToolbox | 1 » 0 |
| 3.55 | QSARToolbox | 1 » 0 |
| 3.55 | QSARToolbox | 1 » 0 |
| 3.55 | QSARToolbox | 1 » 0 |
| 3.55 | QSARToolbox | 1 » 0 |
| 3.55 | OCHEM | 1 » 0 |
| 3.55 | OCHEM | 1 » 0 |
| 3.55 | AttenGpKa training set | 1 » 0 |
| 3.55 | IUPAC digitized pKa | 1 » 0 |
| 3.55 | IUPAC digitized pKa | 1 » 0 |
| 3.56 | QSARToolbox | 1 » 0 |
| 3.56 | QSARToolbox | 1 » 0 |
| 3.56 | QSARToolbox | 1 » 0 |
| 3.56 | QSARToolbox | 1 » 0 |
| 3.57 | IUPAC digitized pKa | 1 » 0 |
| 3.58 | OCHEM | 1 » 0 |
| 3.58 | IUPAC digitized pKa | 1 » 0 |
| 3.58 | IUPAC digitized pKa | 1 » 0 |
| 3.59 | OCHEM | 1 » 0 |
| 3.59 | Datawarrior | 1 » 0 |
| 3.60 | QSARToolbox | 1 » 0 |
| 3.60 | QSARToolbox | 1 » 0 |
| 3.60 | QSARToolbox | 1 » 0 |
| 3.60 | QSARToolbox | 1 » 0 |
| 3.63 | IUPAC digitized pKa | 1 » 0 |
| 3.65 | IUPAC digitized pKa | 1 » 0 |
| 3.65 | IUPAC digitized pKa | 1 » 0 |
| 3.66 | IUPAC digitized pKa | 1 » 0 |
| 3.66 | IUPAC digitized pKa | 1 » 0 |
| 3.68 | IUPAC digitized pKa | 1 » 0 |
| 3.70 | QSARToolbox | 1 » 0 |
| 3.70 | QSARToolbox | 1 » 0 |
| 3.88 | QSARToolbox | 1 » 0 |
| 3.88 | QSARToolbox | 1 » 0 |
| 3.88 | QSARToolbox | 1 » 0 |
| 3.94 | QSARToolbox | 1 » 0 |
| 3.94 | QSARToolbox | 1 » 0 |
| 9.69 | IUPAC digitized pKa | 0 » -1 |
| 9.78 | IUPAC digitized pKa | 0 » -1 |
| 9.79 | QSARToolbox | 0 » -1 |
| 9.79 | QSARToolbox | 0 » -1 |
| 9.80 | IUPAC digitized pKa | 0 » -1 |
| 9.84 | IUPAC digitized pKa | 0 » -1 |
| 9.84 | QSARToolbox | 0 » -1 |
| 9.84 | QSARToolbox | 0 » -1 |
| 9.96 | QSARToolbox | 0 » -1 |
| 9.96 | QSARToolbox | 0 » -1 |
| 9.96 | IUPAC digitized pKa | 0 » -1 |
| 10.02 | IUPAC digitized pKa | 0 » -1 |
| 10.03 | IUPAC digitized pKa | 0 » -1 |
| 10.06 | IUPAC digitized pKa | 0 » -1 |
| 10.06 | IUPAC digitized pKa | 0 » -1 |
| 10.10 | QSARToolbox | 0 » -1 |
| 10.10 | QSARToolbox | 0 » -1 |
| 10.10 | QSARToolbox | 0 » -1 |
| 10.16 | IUPAC digitized pKa | 0 » -1 |
| 10.19 | QSARToolbox | 0 » -1 |
| 10.19 | QSARToolbox | 0 » -1 |
| 10.20 | OCHEM | 0 » -1 |
| 10.20 | Settimo | 0 » -1 |
| 10.21 | QSARToolbox | 0 » -1 |
| 10.21 | QSARToolbox | 0 » -1 |
| 10.22 | Datawarrior | 0 » -1 |
| 10.22 | OCHEM | 0 » -1 |
| 10.23 | OCHEM | 0 » -1 |
| 10.23 | OCHEM | 0 » -1 |
| 10.24 | IUPAC digitized pKa | 0 » -1 |
| 10.24 | QSARToolbox | 0 » -1 |
| 10.24 | QSARToolbox | 0 » -1 |
| 10.24 | OCHEM | 0 » -1 |
| 10.25 | IUPAC digitized pKa | 0 » -1 |
| 10.26 | IUPAC digitized pKa | 0 » -1 |
| 10.30 | IUPAC digitized pKa | 0 » -1 |
| 10.33 | AttenGpKa training set | 0 » -1 |
| 10.33 | IUPAC digitized pKa | 0 » -1 |
| 10.36 | QSARToolbox | 0 » -1 |
| 10.36 | QSARToolbox | 0 » -1 |
| 10.36 | QSARToolbox | 0 » -1 |
| 10.36 | QSARToolbox | 0 » -1 |
| 10.39 | IUPAC digitized pKa | 0 » -1 |
| 10.39 | IUPAC digitized pKa | 0 » -1 |
| 10.40 | QSARToolbox | 0 » -1 |
| 10.40 | QSARToolbox | 0 » -1 |
| 10.44 | IUPAC digitized pKa | 0 » -1 |
| 10.51 | QSARToolbox | 0 » -1 |
| 10.51 | QSARToolbox | 0 » -1 |
| 10.53 | IUPAC digitized pKa | 0 » -1 |
| 10.58 | IUPAC digitized pKa | 0 » -1 |
| 10.83 | IUPAC digitized pKa | 0 » -1 |
| 11.00 | IUPAC digitized pKa | 0 » -1 |
| 11.05 | IUPAC digitized pKa | 0 » -1 |