Molecule ID: mol3637
SMILES: Nc1ccc(S(=O)(=O)Nc2ccc(Br)nc2)cc1
InChI: InChI=1S/C11H10BrN3O2S/c12-11-6-3-9(7-14-11)15-18(16,17)10-4-1-8(13)2-5-10/h1-7,15H,13H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.00 | IUPAC digitized pKa | 1 » 0 |
| 2.00 | AttenGpKa training set | 1 » 0 |
| 7.12 | OCHEM | 0 » -1 |
| 7.12 | IUPAC digitized pKa | 0 » -1 |
| 7.12 | Datawarrior | 0 » -1 |
| 7.12 | AttenGpKa training set | 0 » -1 |