Molecule ID: mol30699
SMILES: COC(=O)CNCC(=O)c1ccc(O)cc1
InChI: InChI=1S/C11H13NO4/c1-16-11(15)7-12-6-10(14)8-2-4-9(13)5-3-8/h2-5,12-13H,6-7H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.20 | AttenGpKa training set | 1 » 0 |
| 7.90 | AttenGpKa training set | 0 » -1 |