Molecule ID: mol6282
SMILES: Cc1ccc(N)c2ccccc12
InChI: InChI=1S/C11H11N/c1-8-6-7-11(12)10-5-3-2-4-9(8)10/h2-7H,12H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.37 | QSARToolbox | 1 » 0 |
| 4.37 | QSARToolbox | 1 » 0 |
| 4.37 | IUPAC digitized pKa | 1 » 0 |
| 4.37 | OCHEM | 1 » 0 |
| 4.37 | AttenGpKa training set | 1 » 0 |