Molecule ID: mol4892
SMILES: Cn1c(S)nc2cncnc21
InChI: InChI=1S/C6H6N4S/c1-10-5-4(9-6(10)11)2-7-3-8-5/h2-3H,1H3,(H,9,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.48 | Datawarrior | 0 » -1 |
| 7.48 | OCHEM | 0 » -1 |
| 7.50 | IUPAC digitized pKa | 0 » -1 |