Molecule ID: mol3957
SMILES: CC1=NCCO1
InChI: InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.50 | IUPAC digitized pKa | 1 » 0 |
| 5.50 | QSARToolbox | 1 » 0 |
| 5.50 | AttenGpKa training set | 1 » 0 |
| 5.51 | IUPAC digitized pKa | 1 » 0 |
| 5.51 | OCHEM | 1 » 0 |
| 5.51 | QSARToolbox | 1 » 0 |