Molecule ID: mol30952

SMILES: Nc1c(S(=O)(=O)O)cc(/N=N\c2ccccc2)c2c(O)cccc12

InChI: InChI=1S/C16H13N3O4S/c17-16-11-7-4-8-13(20)15(11)12(9-14(16)24(21,22)23)19-18-10-5-2-1-3-6-10/h1-9,20H,17H2,(H,21,22,23)/b19-18-

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.60 AttenGpKa training set 1 » 0
8.48 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization