Molecule ID: mol26094
SMILES: NS(=O)(=O)c1ccc2cccnc2c1
InChI: InChI=1S/C9H8N2O2S/c10-14(12,13)8-4-3-7-2-1-5-11-9(7)6-8/h1-6H,(H2,10,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.14 | AttenGpKa training set | 1 » 0 |
| 9.72 | AttenGpKa training set | 0 » -1 |