Molecule ID: mol7080
SMILES: CNc1ccccc1Sc1cnc(N)nc1O
InChI: InChI=1S/C11H12N4OS/c1-13-7-4-2-3-5-8(7)17-9-6-14-11(12)15-10(9)16/h2-6,13H,1H3,(H3,12,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.10 | IUPAC digitized pKa | 2 » 1 |
| 3.60 | IUPAC digitized pKa | 1 » 0 |
| 8.70 | IUPAC digitized pKa | 0 » -1 |