Molecule ID: mol1999
SMILES: COCCO
InChI: InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 14.80 | IUPAC digitized pKa | 0 » -1 |
| 14.80 | OCHEM | 0 » -1 |
| 14.80 | AttenGpKa training set | 0 » -1 |
| 14.80 | QSARToolbox | 0 » -1 |
| 14.80 | QSARToolbox | 0 » -1 |
| 14.82 | OCHEM | 0 » -1 |
| 14.82 | Hunt | 0 » -1 |
| 14.88 | Datawarrior | 0 » -1 |
| 14.88 | OCHEM | 0 » -1 |
| 14.88 | QSARToolbox | 0 » -1 |