Molecule ID: mol4639
SMILES: Cc1ncc2ccccc2n1
InChI: InChI=1S/C9H8N2/c1-7-10-6-8-4-2-3-5-9(8)11-7/h2-6H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.95 | IUPAC digitized pKa | 1 » 0 |
| 2.95 | QSARToolbox | 1 » 0 |
| 4.50 | QSARToolbox | 1 » 0 |
| 4.52 | QSARToolbox | 1 » 0 |
| 4.52 | AttenGpKa training set | 1 » 0 |