Molecule ID: mol8070
SMILES: NC1=Nc2nccnc2C(c2c(O)nc(O)nc2O)N1
InChI: InChI=1S/C10H9N7O3/c11-9-14-4(5-6(15-9)13-2-1-12-5)3-7(18)16-10(20)17-8(3)19/h1-2,4H,(H3,11,13,14,15)(H3,16,17,18,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.39 | IUPAC digitized pKa | 0 » -1 |
| 8.44 | AttenGpKa training set | 0 » -1 |