Molecule ID: mol21850
SMILES: COc1ccc(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1
InChI: InChI=1S/C15H13N3O3/c1-21-12-5-2-10(3-6-12)8-15-16-13-7-4-11(18(19)20)9-14(13)17-15/h2-7,9H,8H2,1H3,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.26 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 4.26 | OCHEM | 1 » 0 |
| 4.26 | OCHEM | 1 » 0 |