Molecule ID: mol15625
SMILES: Cc1cc(/N=N/c2ccc(S(N)(=O)=O)cc2)cc(C(=O)O)c1O
InChI: InChI=1S/C14H13N3O5S/c1-8-6-10(7-12(13(8)18)14(19)20)17-16-9-2-4-11(5-3-9)23(15,21)22/h2-7,18H,1H3,(H,19,20)(H2,15,21,22)/b17-16+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.25 | Datawarrior | 0 » -1 |
| 10.15 | Datawarrior | -1 » -2 |
| 12.06 | Datawarrior | -2 » -3 |