Molecule ID: mol24799
SMILES: CC(=O)CCn1[nH]c(=O)ccc1=O
InChI: InChI=1S/C8H10N2O3/c1-6(11)4-5-10-8(13)3-2-7(12)9-10/h2-3H,4-5H2,1H3,(H,9,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.60 | AttenGpKa training set | 0 » -1 |
| 5.60 | AttenGpKa training set | 0 » -1 |