Molecule ID: mol4804
SMILES: CNc1ncnc2nc(C)c(C)nc12
InChI: InChI=1S/C9H11N5/c1-5-6(2)14-9-7(13-5)8(10-3)11-4-12-9/h4H,1-3H3,(H,10,11,12,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.15 | IUPAC digitized pKa | 1 » 0 |
| 4.17 | AttenGpKa training set | 1 » 0 |