Molecule ID: mol8283
SMILES: Cn1cnc(=S)c2[nH]cnc21
InChI: InChI=1S/C6H6N4S/c1-10-3-9-6(11)4-5(10)8-2-7-4/h2-3H,1H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.69 | IUPAC digitized pKa | 2 » 1 |
| 7.51 | IUPAC digitized pKa | 0 » -1 |
| 7.80 | IUPAC digitized pKa | 0 » -1 |