Molecule ID: mol25102
SMILES: Cc1ncc(CO)c(/C=N/O)c1O
InChI: InChI=1S/C8H10N2O3/c1-5-8(12)7(3-10-13)6(4-11)2-9-5/h2-3,11-13H,4H2,1H3/b10-3+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.10 | AttenGpKa training set | 1 » 0 |
| 8.10 | AttenGpKa training set | 0 » -1 |
| 10.00 | AttenGpKa training set | -1 » -2 |