Molecule ID: mol12608
SMILES: NCc1ccc(Cl)cc1[N+](=O)[O-]
InChI: InChI=1S/C7H7ClN2O2/c8-6-2-1-5(4-9)7(3-6)10(11)12/h1-3H,4,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.34 | Datawarrior | 1 » 0 |
| 8.34 | AttenGpKa training set | 1 » 0 |
| 8.34 | QSARToolbox | 1 » 0 |
| 8.34 | OCHEM | 1 » 0 |