Molecule ID: mol3337
SMILES: Nc1cc(Br)c(O)c(Br)c1
InChI: InChI=1S/C6H5Br2NO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.20 | IUPAC digitized pKa | 1 » 0 |
| 3.20 | OCHEM | 1 » 0 |
| 3.20 | AttenGpKa training set | 1 » 0 |
| 3.20 | QSARToolbox | 1 » 0 |
| 3.20 | QSARToolbox | 1 » 0 |