Molecule ID: mol17057
SMILES: CCC(=O)NC(CO)C(O)c1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C12H16N2O5/c1-2-11(16)13-10(7-15)12(17)8-3-5-9(6-4-8)14(18)19/h3-6,10,12,15,17H,2,7H2,1H3,(H,13,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.88 | Baltruschat ChEMBL | 1 » 0 |