Molecule ID: mol5108
SMILES: Cc1cc(C)c2ccc3c(C)cc(C)nc3c2n1
InChI: InChI=1S/C16H16N2/c1-9-7-11(3)17-15-13(9)5-6-14-10(2)8-12(4)18-16(14)15/h5-8H,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.48 | IUPAC digitized pKa | 1 » 0 |
| 6.50 | Datawarrior | 1 » 0 |
| 6.50 | OCHEM | 1 » 0 |
| 6.50 | QSARToolbox | 1 » 0 |
| 6.50 | AttenGpKa training set | 1 » 0 |