Molecule ID: mol5107
SMILES: CCCc1ccnc2c1ccc1cccnc12
InChI: InChI=1S/C15H14N2/c1-2-4-11-8-10-17-15-13(11)7-6-12-5-3-9-16-14(12)15/h3,5-10H,2,4H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.43 | IUPAC digitized pKa | 1 » 0 |
| 5.45 | OCHEM | 1 » 0 |
| 5.45 | QSARToolbox | 1 » 0 |
| 5.45 | Datawarrior | 1 » 0 |
| 5.45 | AttenGpKa training set | 1 » 0 |