Molecule ID: mol12273
SMILES: O=S(=O)(O)c1cc(O)c(N=Nc2c(O)ccc3ccccc23)c2ccccc12
InChI: InChI=1S/C20H14N2O5S/c23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)28(25,26)27/h1-11,23-24H,(H,25,26,27)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.00 | IUPAC digitized pKa | -1 » -2 |
| 7.36 | IUPAC digitized pKa | -1 » -2 |
| 13.50 | IUPAC digitized pKa | -2 » -3 |
| 13.50 | IUPAC digitized pKa | -2 » -3 |
| 13.80 | IUPAC digitized pKa | -2 » -3 |