Molecule ID: mol12604
SMILES: NCc1cc(Cl)ccc1[N+](=O)[O-]
InChI: InChI=1S/C7H7ClN2O2/c8-6-1-2-7(10(11)12)5(3-6)4-9/h1-3H,4,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.19 | QSARToolbox | 1 » 0 |
| 8.19 | OCHEM | 1 » 0 |
| 8.19 | Datawarrior | 1 » 0 |
| 8.19 | AttenGpKa training set | 1 » 0 |