Molecule ID: mol5115
SMILES: Cc1cnc2c(c1)c(C)c(C)c1cccnc12
InChI: InChI=1S/C15H14N2/c1-9-7-13-11(3)10(2)12-5-4-6-16-14(12)15(13)17-8-9/h4-8H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.32 | IUPAC digitized pKa | 1 » 0 |
| 5.34 | Datawarrior | 1 » 0 |
| 5.34 | AttenGpKa training set | 1 » 0 |
| 5.34 | QSARToolbox | 1 » 0 |
| 5.34 | OCHEM | 1 » 0 |