Molecule ID: mol5100
SMILES: Cc1cnc2c(ccc3cccnc32)c1
InChI: InChI=1S/C13H10N2/c1-9-7-11-5-4-10-3-2-6-14-12(10)13(11)15-8-9/h2-8H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.98 | IUPAC digitized pKa | 1 » 0 |
| 5.00 | Datawarrior | 1 » 0 |
| 5.00 | OCHEM | 1 » 0 |
| 5.00 | QSARToolbox | 1 » 0 |
| 5.00 | AttenGpKa training set | 1 » 0 |