Molecule ID: mol5092
SMILES: Cc1ccnc2c1ccc1c(C)ccnc12
InChI: InChI=1S/C14H12N2/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13/h3-8H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.94 | IUPAC digitized pKa | 1 » 0 |
| 5.94 | Datawarrior | 1 » 0 |
| 5.94 | QSARToolbox | 1 » 0 |
| 5.94 | OCHEM | 1 » 0 |