Molecule ID: mol9095
SMILES: O=c1[nH]nc(Br)c(=O)[nH]1
InChI: InChI=1S/C3H2BrN3O2/c4-1-2(8)5-3(9)7-6-1/h(H2,5,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.00 | IUPAC digitized pKa | 0 » -1 |
| 6.00 | AttenGpKa training set | 0 » -1 |
| 6.05 | IUPAC digitized pKa | 0 » -1 |