Molecule ID: mol8679
SMILES: CCCCO
InChI: InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 15.58 | QSARToolbox | 0 » -1 |
| 15.58 | QSARToolbox | 0 » -1 |
| 15.58 | Datawarrior | 0 » -1 |
| 15.58 | OCHEM | 0 » -1 |
| 16.10 | IUPAC digitized pKa | 0 » -1 |
| 16.10 | OCHEM | 0 » -1 |
| 16.10 | AttenGpKa training set | 0 » -1 |
| 16.10 | QSARToolbox | 0 » -1 |
| 16.10 | QSARToolbox | 0 » -1 |