Molecule ID: mol12145
SMILES: O=S(=O)(O)c1cc(O)c2c(O)c(N=Nc3cc(Cl)ccc3O)c(S(=O)(=O)O)cc2c1
InChI: InChI=1S/C16H11ClN2O9S2/c17-8-1-2-11(20)10(5-8)18-19-15-13(30(26,27)28)4-7-3-9(29(23,24)25)6-12(21)14(7)16(15)22/h1-6,20-22H,(H,23,24,25)(H,26,27,28)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.15 | IUPAC digitized pKa | -2 » -3 |
| 7.56 | IUPAC digitized pKa | -2 » -3 |
| 8.00 | IUPAC digitized pKa | -2 » -3 |
| 10.35 | IUPAC digitized pKa | -4 » -5 |
| 10.48 | IUPAC digitized pKa | -4 » -5 |
| 11.90 | IUPAC digitized pKa | -4 » -5 |