Molecule ID: mol15446
SMILES: CCOc1ccc2nc3cc([N+](=O)[O-])ccc3c(N)c2c1
InChI: InChI=1S/C15H13N3O3/c1-2-21-10-4-6-13-12(8-10)15(16)11-5-3-9(18(19)20)7-14(11)17-13/h3-8H,2H2,1H3,(H2,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.50 | Datawarrior | 1 » 0 |
| 7.50 | OCHEM | 1 » 0 |
| 7.50 | QSARToolbox | 1 » 0 |
| 7.50 | AttenGpKa training set | 1 » 0 |