Molecule ID: mol4607
SMILES: Clc1ncc2ccccc2n1
InChI: InChI=1S/C8H5ClN2/c9-8-10-5-6-3-1-2-4-7(6)11-8/h1-5H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.60 | QSARToolbox | 1 » 0 |
| -1.60 | IUPAC digitized pKa | 1 » 0 |
| -1.60 | IUPAC digitized pKa | 1 » 0 |
| -1.60 | OCHEM | 1 » 0 |
| -1.60 | AttenGpKa training set | 1 » 0 |
| 1.81 | QSARToolbox | 1 » 0 |