Molecule ID: mol30951

SMILES: Nc1c(S(=O)(=O)O)ccc2c(O)ccc(/N=N\c3ccccc3)c12

InChI: InChI=1S/C16H13N3O4S/c17-16-14(24(21,22)23)9-6-11-13(20)8-7-12(15(11)16)19-18-10-4-2-1-3-5-10/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
4.08 AttenGpKa training set 0 » -1
9.70 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization