Molecule ID: mol13321
SMILES: NCC(=O)Nc1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C8H9N3O3/c9-5-8(12)10-6-1-3-7(4-2-6)11(13)14/h1-4H,5,9H2,(H,10,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.50 | Datawarrior | 1 » 0 |
| 8.50 | OCHEM | 1 » 0 |
| 8.50 | QSARToolbox | 1 » 0 |