Molecule ID: mol8988
SMILES: O=C(O)CCO
InChI: InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.49 | QSARToolbox | 0 » -1 |
| 4.49 | IUPAC digitized pKa | 0 » -1 |
| 4.51 | OCHEM | 0 » -1 |
| 4.51 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.51 | OCHEM | 0 » -1 |
| 4.51 | OCHEM | 0 » -1 |
| 4.51 | OCHEM | 0 » -1 |
| 4.51 | OCHEM | 0 » -1 |
| 4.51 | AttenGpKa training set | 0 » -1 |
| 4.51 | QSARToolbox | 0 » -1 |
| 4.51 | QSARToolbox | 0 » -1 |
| 4.52 | QSARToolbox | 0 » -1 |
| 4.52 | IUPAC digitized pKa | 0 » -1 |