Molecule ID: mol29556
SMILES: Cc1ncc(CO)c(C(O)O)c1O
InChI: InChI=1S/C8H11NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,8,10-13H,3H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.21 | AttenGpKa training set | 1 » 0 |
| 8.68 | AttenGpKa training set | 0 » -1 |