Molecule ID: mol17053
SMILES: O=CNC(CO)C(O)c1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C10H12N2O5/c13-5-9(11-6-14)10(15)7-1-3-8(4-2-7)12(16)17/h1-4,6,9-10,13,15H,5H2,(H,11,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.77 | Baltruschat ChEMBL | 1 » 0 |