Molecule ID: mol5089
SMILES: Cc1cnc2c(ccc3c(C)ccnc32)c1
InChI: InChI=1S/C14H12N2/c1-9-7-11-3-4-12-10(2)5-6-15-14(12)13(11)16-8-9/h3-8H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.55 | IUPAC digitized pKa | 1 » 0 |
| 5.57 | Datawarrior | 1 » 0 |
| 5.57 | QSARToolbox | 1 » 0 |
| 5.57 | OCHEM | 1 » 0 |