Molecule ID: mol5086
SMILES: Cc1cc(C)c2ccc3cccnc3c2n1
InChI: InChI=1S/C14H12N2/c1-9-8-10(2)16-14-12(9)6-5-11-4-3-7-15-13(11)14/h3-8H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.94 | IUPAC digitized pKa | 1 » 0 |
| 5.95 | AttenGpKa training set | 1 » 0 |
| 5.96 | Datawarrior | 1 » 0 |
| 5.96 | OCHEM | 1 » 0 |
| 5.96 | QSARToolbox | 1 » 0 |