Molecule ID: mol4368
SMILES: Brc1cccc2cccnc12
InChI: InChI=1S/C9H6BrN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.13 | IUPAC digitized pKa | 1 » 0 |
| 3.13 | OCHEM | 1 » 0 |
| 3.13 | AttenGpKa training set | 1 » 0 |
| 3.13 | QSARToolbox | 1 » 0 |