Molecule ID: mol7974
SMILES: Sc1nc2cnc(Cl)cc2[nH]1
InChI: InChI=1S/C6H4ClN3S/c7-5-1-3-4(2-8-5)10-6(11)9-3/h1-2H,(H2,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.81 | IUPAC digitized pKa | 1 » 0 |
| 7.76 | IUPAC digitized pKa | 0 » -1 |
| 13.40 | IUPAC digitized pKa | -1 » -2 |