Molecule ID: mol8787

SMILES: O=S(=O)(O)c1ccc2c(N=Nc3cccc4cccnc34)c(O)c(S(=O)(=O)O)cc2c1

InChI: InChI=1S/C19H13N3O7S2/c23-19-16(31(27,28)29)10-12-9-13(30(24,25)26)6-7-14(12)18(19)22-21-15-5-1-3-11-4-2-8-20-17(11)15/h1-10,23H,(H,24,25,26)(H,27,28,29)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.48 IUPAC digitized pKa 0 » -1
1.48 IUPAC digitized pKa 0 » -1
11.49 IUPAC digitized pKa -2 » -3
11.49 IUPAC digitized pKa -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization