Molecule ID: mol2554
SMILES: CNCCO
InChI: InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.94 | QSARToolbox | 1 » 0 |
| 9.64 | AttenGpKa training set | 1 » 0 |
| 9.77 | IUPAC digitized pKa | 1 » 0 |
| 9.88 | IUPAC digitized pKa | 1 » 0 |
| 9.88 | OCHEM | 1 » 0 |
| 9.88 | OCHEM | 1 » 0 |
| 9.88 | Hunt | 1 » 0 |
| 9.88 | OCHEM | 1 » 0 |
| 9.91 | OCHEM | 1 » 0 |
| 9.91 | Datawarrior | 1 » 0 |
| 10.18 | QSARToolbox | 1 » 0 |
| 10.18 | QSARToolbox | 1 » 0 |