Molecule ID: mol2552
SMILES: O=C(O)CCCO
InChI: InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.46 | QSARToolbox | 0 » -1 |
| 4.71 | OCHEM | 0 » -1 |
| 4.71 | Hunt | 0 » -1 |
| 4.72 | QSARToolbox | 0 » -1 |
| 4.72 | QSARToolbox | 0 » -1 |
| 4.72 | QSARToolbox | 0 » -1 |
| 4.72 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.72 | Baltruschat ChEMBL | 0 » -1 |
| 4.72 | AttenGpKa training set | 0 » -1 |