Molecule ID: mol5205
SMILES: Cn1cccc1-c1cccnc1
InChI: InChI=1S/C10H10N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2-8H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.50 | Baltruschat ChEMBL | 1 » 0 |
| 4.70 | Baltruschat ChEMBL | 1 » 0 |
| 4.73 | Datawarrior | 1 » 0 |
| 4.73 | OCHEM | 1 » 0 |
| 4.76 | IUPAC digitized pKa | 1 » 0 |