Molecule ID: mol12238
SMILES: CC(=O)Nc1c(N=Nc2ccccc2)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12
InChI: InChI=1S/C18H15N3O8S2/c1-10(22)19-18-16-11(7-13(9-14(16)23)30(24,25)26)8-15(31(27,28)29)17(18)21-20-12-5-3-2-4-6-12/h2-9,23H,1H3,(H,19,22)(H,24,25,26)(H,27,28,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.65 | IUPAC digitized pKa | -2 » -3 |