Molecule ID: mol19041
SMILES: NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1
InChI: InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.20 | Baltruschat ChEMBL | 0 » -1 |
| 3.20 | AttenGpKa training set | 0 » -1 |
| 9.00 | AttenGpKa training set | -1 » -2 |