Molecule ID: mol18348
SMILES: CS(=O)(=O)Nc1ccncc1Oc1ccccc1
InChI: InChI=1S/C12H12N2O3S/c1-18(15,16)14-11-7-8-13-9-12(11)17-10-5-3-2-4-6-10/h2-9H,1H3,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.98 | OCHEM | 1 » 0 |
| 2.98 | Baltruschat ChEMBL | 1 » 0 |
| 8.13 | OCHEM | 0 » -1 |
| 8.13 | Baltruschat ChEMBL | 0 » -1 |