Molecule ID: mol4976
SMILES: Nc1c2ccccc2nc2ccccc12
InChI: InChI=1S/C13H10N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H2,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.60 | Baltruschat ChEMBL | 1 » 0 |
| 9.95 | QSARToolbox | 1 » 0 |
| 9.95 | IUPAC digitized pKa | 1 » 0 |
| 9.95 | OCHEM | 1 » 0 |
| 9.99 | OCHEM | 1 » 0 |
| 9.99 | Datawarrior | 1 » 0 |