Molecule ID: mol14855
SMILES: Nc1c2ccccc2nc2cccc([N+](=O)[O-])c12
InChI: InChI=1S/C13H9N3O2/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(12(10)13)16(17)18/h1-7H,(H2,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.30 | Datawarrior | 1 » 0 |
| 7.30 | Baltruschat ChEMBL | 1 » 0 |
| 7.30 | QSARToolbox | 1 » 0 |
| 7.30 | OCHEM | 1 » 0 |
| 7.50 | AttenGpKa training set | 1 » 0 |