Molecule ID: mol26091
SMILES: NS(=O)(=O)c1cccc2ncccc12
InChI: InChI=1S/C9H8N2O2S/c10-14(12,13)9-5-1-4-8-7(9)3-2-6-11-8/h1-6H,(H2,10,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.20 | AttenGpKa training set | 1 » 0 |
| 9.61 | AttenGpKa training set | 0 » -1 |