Molecule ID: mol15791
SMILES: O=S(=O)(Cc1ccccc1)c1ncn[nH]1
InChI: InChI=1S/C9H9N3O2S/c13-15(14,9-10-7-11-12-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.23 | Datawarrior | 0 » -1 |
| 6.23 | OCHEM | 0 » -1 |
| 6.23 | OCHEM | 0 » -1 |
| 6.23 | Baltruschat ChEMBL | 0 » -1 |
| 6.23 | QSARToolbox | 0 » -1 |