Molecule ID: mol17481
SMILES: Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1
InChI: InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.20 | Baltruschat ChEMBL | 1 » 0 |
| 6.20 | AttenGpKa training set | 1 » 0 |