Molecule ID: mol4381
SMILES: Clc1cccc2cccnc12
InChI: InChI=1S/C9H6ClN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.12 | QSARToolbox | 1 » 0 |
| 3.12 | IUPAC digitized pKa | 1 » 0 |
| 3.12 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 3.12 | OCHEM | 1 » 0 |
| 3.12 | OCHEM | 1 » 0 |
| 3.12 | OCHEM | 1 » 0 |
| 3.12 | AttenGpKa training set | 1 » 0 |