Molecule ID: mol9890
SMILES: Cn1c(S)nc2c[nH]c(=O)nc21
InChI: InChI=1S/C6H6N4OS/c1-10-4-3(8-6(10)12)2-7-5(11)9-4/h2H,1H3,(H,8,12)(H,7,9,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.00 | IUPAC digitized pKa | 0 » -1 |
| 11.21 | IUPAC digitized pKa | -1 » -2 |