Molecule ID: mol6374
SMILES: COc1ccncc1N
InChI: InChI=1S/C6H8N2O/c1-9-6-2-3-8-4-5(6)7/h2-4H,7H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.62 | QSARToolbox | 2 » 1 |
| -0.62 | IUPAC digitized pKa | 2 » 1 |
| 7.30 | IUPAC digitized pKa | 1 » 0 |
| 7.30 | QSARToolbox | 1 » 0 |
| 7.41 | OCHEM | 1 » 0 |
| 7.52 | IUPAC digitized pKa | 1 » 0 |