Molecule ID: mol7735
SMILES: Oc1c(Br)cc(Br)c2cccnc12
InChI: InChI=1S/C9H5Br2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.60 | OCHEM | 1 » 0 |
| 2.60 | QSARToolbox | 1 » 0 |
| 2.60 | Datawarrior | 1 » 0 |
| 5.84 | IUPAC digitized pKa | 1 » 0 |
| 7.30 | Datawarrior | 0 » -1 |
| 7.30 | QSARToolbox | 0 » -1 |
| 7.30 | OCHEM | 0 » -1 |
| 9.56 | IUPAC digitized pKa | 0 » -1 |