Molecule ID: mol5113
SMILES: Cc1cnc2c(cc(C)c3cccnc32)c1C
InChI: InChI=1S/C15H14N2/c1-9-7-13-11(3)10(2)8-17-15(13)14-12(9)5-4-6-16-14/h4-8H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.91 | IUPAC digitized pKa | 1 » 0 |
| 5.93 | OCHEM | 1 » 0 |
| 5.93 | QSARToolbox | 1 » 0 |
| 5.93 | Datawarrior | 1 » 0 |
| 5.93 | AttenGpKa training set | 1 » 0 |