Molecule ID: mol12299
SMILES: O=S(=O)(O)c1cc2cc(S(=O)(=O)O)c(N=Nc3ccccc3[As](=O)(O)O)c(O)c2c(O)c1N=Nc1ccccc1[As](=O)(O)O
InChI: InChI=1S/C22H18As2N4O14S2/c29-21-18-11(9-16(43(37,38)39)19(21)27-25-14-7-3-1-5-12(14)23(31,32)33)10-17(44(40,41)42)20(22(18)30)28-26-15-8-4-2-6-13(15)24(34,35)36/h1-10,29-30H,(H2,31,32,33)(H2,34,35,36)(H,37,38,39)(H,40,41,42)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -2.70 | IUPAC digitized pKa | 2 » 1 |
| -2.70 | IUPAC digitized pKa | 2 » 1 |
| 0.60 | IUPAC digitized pKa | 0 » -1 |
| 0.80 | IUPAC digitized pKa | 0 » -1 |
| 1.60 | IUPAC digitized pKa | -1 » -2 |
| 3.40 | IUPAC digitized pKa | -2 » -3 |