Molecule ID: mol5088
SMILES: Cc1cnc2c(ccc3cccnc32)c1C
InChI: InChI=1S/C14H12N2/c1-9-8-16-14-12(10(9)2)6-5-11-4-3-7-15-13(11)14/h3-8H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.60 | IUPAC digitized pKa | 1 » 0 |
| 5.62 | QSARToolbox | 1 » 0 |
| 5.62 | OCHEM | 1 » 0 |
| 5.62 | Datawarrior | 1 » 0 |
| 5.62 | AttenGpKa training set | 1 » 0 |