Molecule ID: mol9671
SMILES: Cc1cnc(C(=O)O)cn1
InChI: InChI=1S/C6H6N2O2/c1-4-2-8-5(3-7-4)6(9)10/h2-3H,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.06 | AttenGpKa training set | 0 » -1 |
| 2.85 | IUPAC digitized pKa | 0 » -1 |
| 3.13 | AttenGpKa training set | 0 » -1 |