Molecule ID: mol3538
SMILES: Nc1ccc(N)c2ccccc12
InChI: InChI=1S/C10H10N2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H,11-12H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.78 | QSARToolbox | 2 » 1 |
| 2.78 | IUPAC digitized pKa | 2 » 1 |
| 5.57 | OCHEM | 1 » 0 |
| 5.87 | QSARToolbox | 1 » 0 |
| 5.87 | IUPAC digitized pKa | 1 » 0 |