Molecule ID: mol4363
SMILES: Brc1ccc2ccccc2n1
InChI: InChI=1S/C9H6BrN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.05 | IUPAC digitized pKa | 1 » 0 |
| 1.05 | OCHEM | 1 » 0 |
| 1.50 | QSARToolbox | 1 » 0 |
| 1.50 | AttenGpKa training set | 1 » 0 |