Molecule ID: mol2224
SMILES: Cc1cccnc1N
InChI: InChI=1S/C6H8N2/c1-5-3-2-4-8-6(5)7/h2-4H,1H3,(H2,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.20 | IUPAC digitized pKa | 1 » 0 |
| 7.21 | AttenGpKa training set | 1 » 0 |
| 7.24 | QSARToolbox | 1 » 0 |
| 7.24 | OCHEM | 1 » 0 |
| 7.24 | IUPAC digitized pKa | 1 » 0 |
| 7.24 | Datawarrior | 1 » 0 |
| 7.24 | OCHEM | 1 » 0 |
| 7.24 | OCHEM | 1 » 0 |
| 7.24 | Hunt | 1 » 0 |
| 7.24 | OCHEM | 1 » 0 |
| 7.24 | OCHEM | 1 » 0 |
| 7.48 | IUPAC digitized pKa | 1 » 0 |