Molecule ID: mol17054
SMILES: CCCC(=O)NC(CO)C(O)c1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C13H18N2O5/c1-2-3-12(17)14-11(8-16)13(18)9-4-6-10(7-5-9)15(19)20/h4-7,11,13,16,18H,2-3,8H2,1H3,(H,14,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.82 | Baltruschat ChEMBL | 1 » 0 |