Molecule ID: mol4981
SMILES: CCOc1ccc2c(N)c3cc([N+](=O)[O-])ccc3nc2c1
InChI: InChI=1S/C15H13N3O3/c1-2-21-10-4-5-11-14(8-10)17-13-6-3-9(18(19)20)7-12(13)15(11)16/h3-8H,2H2,1H3,(H2,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.50 | IUPAC digitized pKa | 1 » 0 |
| 7.50 | QSARToolbox | 1 » 0 |