Molecule ID: mol15295
SMILES: Cc1nccc2c1[nH]c1ccc([N+](=O)[O-])cc12
InChI: InChI=1S/C12H9N3O2/c1-7-12-9(4-5-13-7)10-6-8(15(16)17)2-3-11(10)14-12/h2-6,14H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.24 | OCHEM | 1 » 0 |
| 6.24 | Datawarrior | 1 » 0 |
| 7.76 | QSARToolbox | 1 » 0 |