Molecule ID: mol5636
SMILES: CC(C)(C)O
InChI: InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 15.66 | QSARToolbox | 0 » -1 |
| 16.32 | QSARToolbox | 0 » -1 |
| 17.00 | QSARToolbox | 0 » -1 |
| 17.03 | Datawarrior | 0 » -1 |
| 17.03 | QSARToolbox | 0 » -1 |
| 17.03 | OCHEM | 0 » -1 |
| 17.49 | AttenGpKa training set | 0 » -1 |
| 19.20 | IUPAC digitized pKa | 0 » -1 |
| 19.20 | OCHEM | 0 » -1 |
| 19.20 | QSARToolbox | 0 » -1 |
| 19.20 | QSARToolbox | 0 » -1 |