Molecule ID: mol7064
SMILES: Nc1nc(O)ncc1NC=O
InChI: InChI=1S/C5H6N4O2/c6-4-3(8-2-10)1-7-5(11)9-4/h1-2H,(H,8,10)(H3,6,7,9,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.50 | IUPAC digitized pKa | 1 » 0 |
| 3.55 | AttenGpKa training set | 1 » 0 |
| 10.87 | AttenGpKa training set | 0 » -1 |
| 10.92 | IUPAC digitized pKa | 0 » -1 |