Molecule ID: mol5684
SMILES: CC(C)O
InChI: InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 15.54 | QSARToolbox | 0 » -1 |
| 16.07 | QSARToolbox | 0 » -1 |
| 16.14 | OCHEM | 0 » -1 |
| 16.14 | Datawarrior | 0 » -1 |
| 16.50 | QSARToolbox | 0 » -1 |
| 16.81 | QSARToolbox | 0 » -1 |
| 17.10 | IUPAC digitized pKa | 0 » -1 |
| 17.10 | OCHEM | 0 » -1 |
| 17.10 | AttenGpKa training set | 0 » -1 |
| 17.10 | QSARToolbox | 0 » -1 |
| 17.97 | QSARToolbox | 0 » -1 |
| 18.00 | QSARToolbox | 0 » -1 |