Molecule ID: mol4403
SMILES: Cn1ccc(=N)c2ccccc21
InChI: InChI=1S/C10H10N2/c1-12-7-6-9(11)8-4-2-3-5-10(8)12/h2-7,11H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.40 | IUPAC digitized pKa | 1 » 0 |
| 12.40 | Datawarrior | 1 » 0 |
| 12.40 | OCHEM | 1 » 0 |
| 12.40 | Baltruschat ChEMBL | 1 » 0 |