Molecule ID: mol11454
SMILES: O=S(=O)(Nc1ncccn1)c1ccccc1
InChI: InChI=1S/C10H9N3O2S/c14-16(15,9-5-2-1-3-6-9)13-10-11-7-4-8-12-10/h1-8H,(H,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.15 | Datawarrior | 1 » 0 |
| 0.15 | OCHEM | 1 » 0 |
| 5.91 | OCHEM | 0 » -1 |
| 5.91 | IUPAC digitized pKa | 0 » -1 |
| 5.91 | Datawarrior | 0 » -1 |