Molecule ID: mol9636
SMILES: S=c1cnc2cnc[nH]c-2n1
InChI: InChI=1S/C6H4N4S/c11-5-2-8-4-1-7-3-9-6(4)10-5/h1-3H,(H,7,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.50 | IUPAC digitized pKa | 0 » -1 |
| 5.50 | Datawarrior | 0 » -1 |
| 5.50 | OCHEM | 0 » -1 |
| 5.50 | QSARToolbox | 0 » -1 |