Molecule ID: mol5114
SMILES: Cc1cnc2c(ccc3c(C)ccnc32)c1C
InChI: InChI=1S/C15H14N2/c1-9-6-7-16-14-12(9)4-5-13-11(3)10(2)8-17-15(13)14/h4-8H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.97 | IUPAC digitized pKa | 1 » 0 |
| 5.99 | QSARToolbox | 1 » 0 |
| 5.99 | OCHEM | 1 » 0 |
| 5.99 | Datawarrior | 1 » 0 |
| 5.99 | AttenGpKa training set | 1 » 0 |