Molecule ID: mol15567
SMILES: CNc1c2ccccc2nc2cccc([N+](=O)[O-])c12
InChI: InChI=1S/C14H11N3O2/c1-15-14-9-5-2-3-6-10(9)16-11-7-4-8-12(13(11)14)17(18)19/h2-8H,1H3,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.20 | OCHEM | 1 » 0 |
| 7.20 | QSARToolbox | 1 » 0 |
| 7.20 | Datawarrior | 1 » 0 |
| 7.20 | Baltruschat ChEMBL | 1 » 0 |