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)

Experimental Macro pKa Values

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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
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization