Molecule ID: mol4424
SMILES: O=[N+]([O-])c1ccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1
InChI: InChI=1S/C15H10N4O6S/c20-15-12(18-17-9-3-5-10(6-4-9)19(21)22)8-13(26(23,24)25)11-2-1-7-16-14(11)15/h1-8,20H,(H,23,24,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.98 | IUPAC digitized pKa | 0 » -1 |
| 3.14 | IUPAC digitized pKa | 0 » -1 |
| 3.14 | OCHEM | 0 » -1 |
| 3.41 | IUPAC digitized pKa | 0 » -1 |
| 7.25 | IUPAC digitized pKa | -1 » -2 |
| 7.49 | IUPAC digitized pKa | -1 » -2 |
| 7.82 | IUPAC digitized pKa | -1 » -2 |