Molecule ID: mol15447
SMILES: O=[N+]([O-])c1cccc2nc3ccccc3c(NCCO)c12
InChI: InChI=1S/C15H13N3O3/c19-9-8-16-15-10-4-1-2-5-11(10)17-12-6-3-7-13(14(12)15)18(20)21/h1-7,19H,8-9H2,(H,16,17)
| 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 |