Molecule ID: mol12115
SMILES: O=S(=O)(O)c1ccc(O)c(N=Nc2c(O)ccc3ccccc23)c1
InChI: InChI=1S/C16H12N2O5S/c19-14-8-6-11(24(21,22)23)9-13(14)17-18-16-12-4-2-1-3-10(12)5-7-15(16)20/h1-9,19-20H,(H,21,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.79 | IUPAC digitized pKa | -1 » -2 |
| 6.83 | IUPAC digitized pKa | -1 » -2 |
| 6.88 | IUPAC digitized pKa | -1 » -2 |
| 6.94 | IUPAC digitized pKa | -1 » -2 |
| 7.03 | IUPAC digitized pKa | -1 » -2 |
| 12.19 | IUPAC digitized pKa | -2 » -3 |
| 12.36 | IUPAC digitized pKa | -2 » -3 |
| 12.56 | IUPAC digitized pKa | -2 » -3 |
| 12.78 | IUPAC digitized pKa | -2 » -3 |
| 13.04 | IUPAC digitized pKa | -2 » -3 |
| 13.39 | IUPAC digitized pKa | -2 » -3 |