Molecule ID: mol21853
SMILES: Cc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)c(C)c1
InChI: InChI=1S/C15H13N3O2/c1-9-3-5-12(10(2)7-9)15-16-13-6-4-11(18(19)20)8-14(13)17-15/h3-8H,1-2H3,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.29 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.29 | OCHEM | 1 » 0 |
| 5.29 | OCHEM | 1 » 0 |