Molecule ID: mol28762
SMILES: Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1
InChI: InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.20 | AttenGpKa training set | 0 » -1 |
| 9.00 | AttenGpKa training set | -1 » -2 |