Molecule ID: mol3079
SMILES: CNOC
InChI: InChI=1S/C2H7NO/c1-3-4-2/h3H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.75 | IUPAC digitized pKa | 1 » 0 |
| 4.75 | Datawarrior | 1 » 0 |
| 4.75 | OCHEM | 1 » 0 |
| 4.75 | OCHEM | 1 » 0 |
| 4.75 | QSARToolbox | 1 » 0 |
| 4.75 | QSARToolbox | 1 » 0 |
| 4.75 | AttenGpKa training set | 1 » 0 |