Molecule ID: mol6301
SMILES: Nc1cccc2cccc(N)c12
InChI: InChI=1S/C10H10N2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H,11-12H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.30 | OCHEM | 1 » 0 |
| 4.44 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 4.60 | OCHEM | 1 » 0 |
| 4.60 | Datawarrior | 1 » 0 |
| 4.61 | AttenGpKa training set | 1 » 0 |