Molecule ID: mol15074
SMILES: Nc1c2ccccc2nc2c1ccc1c([N+](=O)[O-])cccc12
InChI: InChI=1S/C17H11N3O2/c18-16-12-4-1-2-6-14(12)19-17-11-5-3-7-15(20(21)22)10(11)8-9-13(16)17/h1-9H,(H2,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.10 | OCHEM | 1 » 0 |
| 7.10 | QSARToolbox | 1 » 0 |
| 7.10 | Datawarrior | 1 » 0 |