Molecule ID: mol4211
SMILES: COc1cc(C)ncn1
InChI: InChI=1S/C6H8N2O/c1-5-3-6(9-2)8-4-7-5/h3-4H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.56 | IUPAC digitized pKa | 1 » 0 |
| 3.56 | OCHEM | 1 » 0 |
| 3.65 | Datawarrior | 1 » 0 |
| 3.65 | AttenGpKa training set | 1 » 0 |
| 3.65 | OCHEM | 1 » 0 |