Molecule ID: mol5044
SMILES: Nc1ccc2nnc3ccccc3c2c1
InChI: InChI=1S/C12H9N3/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-15-12/h1-7H,13H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.68 | OCHEM | 1 » 0 |
| 6.68 | QSARToolbox | 1 » 0 |
| 6.68 | IUPAC digitized pKa | 1 » 0 |
| 6.68 | Datawarrior | 1 » 0 |
| 6.68 | AttenGpKa training set | 1 » 0 |