Molecule ID: mol10114
SMILES: Cn1c(=O)c(O)nc2ncncc21
InChI: InChI=1S/C7H6N4O2/c1-11-4-2-8-3-9-5(4)10-6(12)7(11)13/h2-3H,1H3,(H,8,9,10,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.02 | IUPAC digitized pKa | 0 » -1 |
| 7.02 | AttenGpKa training set | 0 » -1 |