Molecule ID: mol4843
SMILES: Nc1cnc2c(N)nc(N)nc2n1
InChI: InChI=1S/C6H7N7/c7-2-1-10-3-4(8)12-6(9)13-5(3)11-2/h1H,(H6,7,8,9,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.29 | IUPAC digitized pKa | 1 » 0 |
| 6.30 | Datawarrior | 1 » 0 |
| 6.30 | AttenGpKa training set | 1 » 0 |
| 6.30 | QSARToolbox | 1 » 0 |
| 6.30 | OCHEM | 1 » 0 |