Molecule ID: mol4642
SMILES: Cc1ccc2ncncc2c1
InChI: InChI=1S/C9H8N2/c1-7-2-3-9-8(4-7)5-10-6-11-9/h2-6H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.13 | IUPAC digitized pKa | 1 » 0 |
| 2.13 | QSARToolbox | 1 » 0 |
| 3.39 | QSARToolbox | 1 » 0 |
| 3.41 | AttenGpKa training set | 1 » 0 |