Molecule ID: mol8466
SMILES: Nc1cc(Br)c(C(=O)O)c(Br)c1
InChI: InChI=1S/C7H5Br2NO2/c8-4-1-3(10)2-5(9)6(4)7(11)12/h1-2H,10H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.93 | IUPAC digitized pKa | 1 » 0 |
| 1.08 | AttenGpKa training set | 1 » 0 |
| 2.75 | IUPAC digitized pKa | 0 » -1 |
| 2.95 | AttenGpKa training set | 0 » -1 |