Molecule ID: mol24864
SMILES: CC(O)CCn1nc(O)c2ccccc2c1=O
InChI: InChI=1S/C12H14N2O3/c1-8(15)6-7-14-12(17)10-5-3-2-4-9(10)11(16)13-14/h2-5,8,15H,6-7H2,1H3,(H,13,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.90 | AttenGpKa training set | 0 » -1 |
| 5.90 | AttenGpKa training set | 0 » -1 |