Molecule ID: mol2108
SMILES: Cc1cc(N)c2ccccc2c1
InChI: InChI=1S/C11H11N/c1-8-6-9-4-2-3-5-10(9)11(12)7-8/h2-7H,12H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.96 | IUPAC digitized pKa | 1 » 0 |
| 3.96 | Hunt | 1 » 0 |
| 3.96 | OCHEM | 1 » 0 |
| 3.96 | AttenGpKa training set | 1 » 0 |
| 3.96 | QSARToolbox | 1 » 0 |