Molecule ID: mol4380
SMILES: Clc1ccc2cccnc2c1
InChI: InChI=1S/C9H6ClN/c10-8-4-3-7-2-1-5-11-9(7)6-8/h1-6H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.85 | QSARToolbox | 1 » 0 |
| 3.85 | IUPAC digitized pKa | 1 » 0 |
| 3.85 | OCHEM | 1 » 0 |
| 3.85 | AttenGpKa training set | 1 » 0 |