Molecule ID: mol8368
SMILES: Nc1c2ccccc2nc2cc(Cl)ccc12
InChI: InChI=1S/C13H9ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h1-7H,(H2,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.00 | AttenGpKa training set | 1 » 0 |
| 9.29 | QSARToolbox | 1 » 0 |
| 9.29 | IUPAC digitized pKa | 1 » 0 |
| 9.29 | OCHEM | 1 » 0 |