Molecule ID: mol3902
SMILES: CC(=O)n1ccnc1
InChI: InChI=1S/C5H6N2O/c1-5(8)7-3-2-6-4-7/h2-4H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.60 | OCHEM | 1 » 0 |
| 3.60 | QSARToolbox | 1 » 0 |
| 3.60 | QSARToolbox | 1 » 0 |
| 3.60 | IUPAC digitized pKa | 1 » 0 |
| 3.60 | Datawarrior | 1 » 0 |
| 3.60 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 3.60 | OCHEM | 1 » 0 |
| 3.60 | OCHEM | 1 » 0 |
| 3.60 | AttenGpKa training set | 1 » 0 |