Molecule ID: mol13466
SMILES: O=[N+]([O-])c1ccc2[nH]c(CCl)nc2c1
InChI: InChI=1S/C8H6ClN3O2/c9-4-8-10-6-2-1-5(12(13)14)3-7(6)11-8/h1-3H,4H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.21 | Datawarrior | 1 » 0 |
| 2.21 | OCHEM | 1 » 0 |
| 2.21 | QSARToolbox | 1 » 0 |