Molecule ID: mol2104
SMILES: Nc1cc(Br)c2ccccc2c1
InChI: InChI=1S/C10H8BrN/c11-10-6-8(12)5-7-3-1-2-4-9(7)10/h1-6H,12H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.40 | IUPAC digitized pKa | 1 » 0 |
| 3.40 | Hunt | 1 » 0 |
| 3.40 | OCHEM | 1 » 0 |
| 3.40 | AttenGpKa training set | 1 » 0 |
| 3.40 | QSARToolbox | 1 » 0 |