Molecule ID: mol14439
SMILES: NC(CCc1ccc([N+](=O)[O-])cc1)C(=O)O
InChI: InChI=1S/C10H12N2O4/c11-9(10(13)14)6-3-7-1-4-8(5-2-7)12(15)16/h1-2,4-5,9H,3,6,11H2,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.05 | Datawarrior | 1 » 0 |
| 3.05 | OCHEM | 1 » 0 |
| 9.10 | Datawarrior | 0 » -1 |
| 9.10 | OCHEM | 0 » -1 |