Molecule ID: mol4208
SMILES: COc1ccncn1
InChI: InChI=1S/C5H6N2O/c1-8-5-2-3-6-4-7-5/h2-4H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.50 | IUPAC digitized pKa | 1 » 0 |
| 2.50 | Datawarrior | 1 » 0 |
| 2.50 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 2.50 | OCHEM | 1 » 0 |
| 2.50 | OCHEM | 1 » 0 |
| 2.50 | QSARToolbox | 1 » 0 |
| 2.50 | QSARToolbox | 1 » 0 |
| 2.50 | AttenGpKa training set | 1 » 0 |