Molecule ID: mol13992
SMILES: CN1C(=N)Cc2ccccc21
InChI: InChI=1S/C9H10N2/c1-11-8-5-3-2-4-7(8)6-9(11)10/h2-5,10H,6H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.60 | Datawarrior | 1 » 0 |
| 9.60 | AttenGpKa training set | 1 » 0 |
| 9.60 | OCHEM | 1 » 0 |