Molecule ID: mol4377
SMILES: Clc1ccnc2ccccc12
InChI: InChI=1S/C9H6ClN/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.68 | IUPAC digitized pKa | 1 » 0 |
| 3.68 | QSARToolbox | 1 » 0 |
| 3.70 | OCHEM | 1 » 0 |
| 3.72 | IUPAC digitized pKa | 1 » 0 |
| 3.72 | AttenGpKa training set | 1 » 0 |
| 3.72 | QSARToolbox | 1 » 0 |