Molecule ID: mol8216
SMILES: c1cnc2c(n1)CNCN2
InChI: InChI=1S/C6H8N4/c1-2-9-6-5(8-1)3-7-4-10-6/h1-2,7H,3-4H2,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.10 | AttenGpKa training set | 2 » 1 |
| 5.62 | IUPAC digitized pKa | 1 » 0 |
| 5.62 | AttenGpKa training set | 1 » 0 |