Molecule ID: mol3977
SMILES: NC=Nc1nccnc1C=O
InChI: InChI=1S/C6H6N4O/c7-4-10-6-5(3-11)8-1-2-9-6/h1-4H,(H2,7,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.15 | IUPAC digitized pKa | 1 » 0 |
| 5.15 | AttenGpKa training set | 1 » 0 |
| 5.17 | AttenGpKa training set | 1 » 0 |
| 5.30 | IUPAC digitized pKa | 1 » 0 |