Molecule ID: mol12801
SMILES: Nc1ccc(Cl)c2ccccc12
InChI: InChI=1S/C10H8ClN/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H,12H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.40 | Datawarrior | 1 » 0 |
| 3.40 | OCHEM | 1 » 0 |
| 3.41 | OCHEM | 1 » 0 |
| 3.44 | QSARToolbox | 1 » 0 |