Molecule ID: mol9139
SMILES: CC(C)(C)OO
InChI: InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.80 | IUPAC digitized pKa | 0 » -1 |
| 12.80 | Datawarrior | 0 » -1 |
| 12.80 | OCHEM | 0 » -1 |
| 12.80 | OCHEM | 0 » -1 |
| 12.80 | QSARToolbox | 0 » -1 |
| 12.80 | QSARToolbox | 0 » -1 |
| 12.88 | AttenGpKa training set | 0 » -1 |