Molecule ID: mol4641
SMILES: Cc1cccc2ncncc12
InChI: InChI=1S/C9H8N2/c1-7-3-2-4-9-8(7)5-10-6-11-9/h2-6H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.26 | QSARToolbox | 1 » 0 |
| 2.26 | IUPAC digitized pKa | 1 » 0 |
| 3.61 | QSARToolbox | 1 » 0 |
| 3.63 | AttenGpKa training set | 1 » 0 |