Molecule ID: mol28639
SMILES: Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1
InChI: InChI=1S/C14H12N4O2S/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,15H2,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.31 | AttenGpKa training set | 1 » 0 |
| 5.98 | AttenGpKa training set | 0 » -1 |