Molecule ID: mol5028
SMILES: Cc1cc(N)nc2c1ccc1ccccc12
InChI: InChI=1S/C14H12N2/c1-9-8-13(15)16-14-11(9)7-6-10-4-2-3-5-12(10)14/h2-8H,1H3,(H2,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.02 | QSARToolbox | 1 » 0 |
| 6.02 | Datawarrior | 1 » 0 |
| 6.02 | OCHEM | 1 » 0 |
| 6.70 | QSARToolbox | 1 » 0 |
| 6.70 | IUPAC digitized pKa | 1 » 0 |
| 6.74 | AttenGpKa training set | 1 » 0 |