Molecule ID: mol4361
SMILES: Cc1cc(N)c2ccccc2n1
InChI: InChI=1S/C10H10N2/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-6H,1H3,(H2,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.42 | IUPAC digitized pKa | 1 » 0 |
| 9.42 | OCHEM | 1 » 0 |
| 9.42 | QSARToolbox | 1 » 0 |
| 9.44 | QSARToolbox | 1 » 0 |
| 9.44 | OCHEM | 1 » 0 |
| 9.44 | Datawarrior | 1 » 0 |
| 9.44 | AttenGpKa training set | 1 » 0 |