Molecule ID: mol15743
SMILES: COc1ccc([N+](=O)[O-])c2cccnc12
InChI: InChI=1S/C10H8N2O3/c1-15-9-5-4-8(12(13)14)7-3-2-6-11-10(7)9/h2-6H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.55 | QSARToolbox | 1 » 0 |
| 3.55 | Datawarrior | 1 » 0 |
| 3.55 | OCHEM | 1 » 0 |