Molecule ID: mol3309
SMILES: CC(=N)Nc1ccc(Cl)cc1
InChI: InChI=1S/C8H9ClN2/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,1H3,(H2,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.50 | IUPAC digitized pKa | 1 » 0 |
| 9.50 | OCHEM | 1 » 0 |
| 9.50 | OCHEM | 1 » 0 |
| 9.50 | QSARToolbox | 1 » 0 |