Molecule ID: mol4899
SMILES: Cn1cnc2cncnc21
InChI: InChI=1S/C6H6N4/c1-10-4-9-5-2-7-3-8-6(5)10/h2-4H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.27 | IUPAC digitized pKa | 1 » 0 |
| 2.36 | QSARToolbox | 1 » 0 |
| 2.36 | AttenGpKa training set | 1 » 0 |
| 2.42 | Datawarrior | 1 » 0 |
| 2.42 | OCHEM | 1 » 0 |
| 2.44 | IUPAC digitized pKa | 1 » 0 |
| 2.48 | QSARToolbox | 1 » 0 |