Molecule ID: mol15790
SMILES: O=S(=O)(Cc1ccccc1)c1cnn[nH]1
InChI: InChI=1S/C9H9N3O2S/c13-15(14,9-6-10-12-11-9)7-8-4-2-1-3-5-8/h1-6H,7H2,(H,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.15 | Datawarrior | 0 » -1 |
| 5.15 | OCHEM | 0 » -1 |
| 5.15 | Baltruschat ChEMBL | 0 » -1 |
| 5.15 | QSARToolbox | 0 » -1 |
| 5.15 | OCHEM | 0 » -1 |