Molecule ID: mol17049
SMILES: N#CCC(=O)NC(CO)C(O)c1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C12H13N3O5/c13-6-5-11(17)14-10(7-16)12(18)8-1-3-9(4-2-8)15(19)20/h1-4,10,12,16,18H,5,7H2,(H,14,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.43 | Baltruschat ChEMBL | 1 » 0 |