Molecule ID: mol7618
SMILES: Nc1nc(N)nc(CC(=O)O)n1
InChI: InChI=1S/C5H7N5O2/c6-4-8-2(1-3(11)12)9-5(7)10-4/h1H2,(H,11,12)(H4,6,7,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.10 | OCHEM | 1 » 0 |
| 4.40 | IUPAC digitized pKa | 1 » 0 |
| 4.40 | AttenGpKa training set | 1 » 0 |