Molecule ID: mol11117
SMILES: Cc1nc(SCC(=O)O)nc2c1ncn2C
InChI: InChI=1S/C9H10N4O2S/c1-5-7-8(13(2)4-10-7)12-9(11-5)16-3-6(14)15/h4H,3H2,1-2H3,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -2.00 | IUPAC digitized pKa | 2 » 1 |
| 2.03 | IUPAC digitized pKa | 1 » 0 |