Molecule ID: mol8046
SMILES: NC1=Nc2nccnc2C(c2c(O)ncnc2O)N1
InChI: InChI=1S/C10H9N7O2/c11-10-16-5(4-8(18)14-3-15-9(4)19)6-7(17-10)13-2-1-12-6/h1-3,5H,(H3,11,13,16,17)(H2,14,15,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.49 | IUPAC digitized pKa | 0 » -1 |
| 8.54 | AttenGpKa training set | 0 » -1 |