Molecule ID: mol2105
SMILES: Nc1cccc2c(Cl)cccc12
InChI: InChI=1S/C10H8ClN/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1-6H,12H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.34 | QSARToolbox | 1 » 0 |
| 3.34 | IUPAC digitized pKa | 1 » 0 |
| 3.34 | Hunt | 1 » 0 |
| 3.34 | OCHEM | 1 » 0 |
| 3.34 | AttenGpKa training set | 1 » 0 |