Molecule ID: mol26095
SMILES: NS(=O)(=O)c1ccnc2ccccc12
InChI: InChI=1S/C9H8N2O2S/c10-14(12,13)9-5-6-11-8-4-2-1-3-7(8)9/h1-6H,(H2,10,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.25 | AttenGpKa training set | 1 » 0 |
| 8.89 | AttenGpKa training set | 0 » -1 |