Molecule ID: mol14303
SMILES: NCCC(=O)Oc1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C9H10N2O4/c10-6-5-9(12)15-8-3-1-7(2-4-8)11(13)14/h1-4H,5-6,10H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.17 | Datawarrior | 1 » 0 |
| 9.17 | QSARToolbox | 1 » 0 |
| 9.17 | OCHEM | 1 » 0 |