Molecule ID: mol4523
SMILES: Cn1cnc2ccccc21
InChI: InChI=1S/C8H8N2/c1-10-6-9-7-4-2-3-5-8(7)10/h2-6H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.60 | QSARToolbox | 1 » 0 |
| 5.54 | IUPAC digitized pKa | 1 » 0 |
| 5.54 | OCHEM | 1 » 0 |
| 5.54 | OCHEM | 1 » 0 |
| 5.55 | AttenGpKa training set | 1 » 0 |
| 5.57 | IUPAC digitized pKa | 1 » 0 |
| 5.57 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.57 | QSARToolbox | 1 » 0 |
| 5.60 | OCHEM | 1 » 0 |
| 5.60 | Baltruschat ChEMBL | 1 » 0 |
| 5.65 | Datawarrior | 1 » 0 |
| 5.65 | OCHEM | 1 » 0 |
| 5.66 | IUPAC digitized pKa | 1 » 0 |
| 5.67 | QSARToolbox | 1 » 0 |
| 5.67 | QSARToolbox | 1 » 0 |
| 5.70 | QSARToolbox | 1 » 0 |