Molecule ID: mol29554
SMILES: Cc1ncc(CO)c(C(=O)O)c1O
InChI: InChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.50 | AttenGpKa training set | 1 » 0 |
| 5.50 | AttenGpKa training set | 0 » -1 |
| 9.75 | AttenGpKa training set | -1 » -2 |