Molecule ID: mol2406
SMILES: CC(C)c1cccc(N)c1
InChI: InChI=1S/C9H13N/c1-7(2)8-4-3-5-9(10)6-8/h3-7H,10H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.67 | IUPAC digitized pKa | 1 » 0 |
| 4.67 | Hunt | 1 » 0 |
| 4.67 | OCHEM | 1 » 0 |
| 4.67 | AttenGpKa training set | 1 » 0 |
| 4.67 | QSARToolbox | 1 » 0 |