Molecule ID: mol12121

SMILES: O=S(=O)(O)c1ccc(N=Nc2c(O)cc(S(=O)(=O)O)c3cccc(S(=O)(=O)O)c23)cc1

InChI: InChI=1S/C16H12N2O10S3/c19-12-8-14(31(26,27)28)11-2-1-3-13(30(23,24)25)15(11)16(12)18-17-9-4-6-10(7-5-9)29(20,21)22/h1-8,19H,(H,20,21,22)(H,23,24,25)(H,26,27,28)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.50 IUPAC digitized pKa -3 » -4
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization