Molecule ID: mol4644
SMILES: Cc1cccc2cncnc12
InChI: InChI=1S/C9H8N2/c1-7-3-2-4-8-5-10-6-11-9(7)8/h2-6H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.12 | IUPAC digitized pKa | 1 » 0 |
| 3.18 | QSARToolbox | 1 » 0 |
| 3.20 | AttenGpKa training set | 1 » 0 |