Molecule ID: mol8096
SMILES: CNc1ncnc2nc(N)cnc12
InChI: InChI=1S/C7H8N6/c1-9-6-5-7(12-3-11-6)13-4(8)2-10-5/h2-3H,1H3,(H3,8,9,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.08 | IUPAC digitized pKa | 1 » 0 |
| 5.11 | AttenGpKa training set | 1 » 0 |