Molecule ID: mol8141
SMILES: Cc1nc2c(O)nc(O)nc2n(C)c1=O
InChI: InChI=1S/C8H8N4O3/c1-3-7(14)12(2)5-4(9-3)6(13)11-8(15)10-5/h1-2H3,(H2,10,11,13,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.26 | IUPAC digitized pKa | 0 » -1 |
| 4.26 | AttenGpKa training set | 0 » -1 |
| 13.20 | IUPAC digitized pKa | -1 » -2 |
| 13.20 | AttenGpKa training set | -1 » -2 |