Molecule ID: mol4967
SMILES: CCCCc1nc(N)c2ncsc2n1
InChI: InChI=1S/C9H12N4S/c1-2-3-4-6-12-8(10)7-9(13-6)14-5-11-7/h5H,2-4H2,1H3,(H2,10,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.46 | IUPAC digitized pKa | 1 » 0 |
| 3.49 | Datawarrior | 1 » 0 |
| 3.49 | OCHEM | 1 » 0 |