Molecule ID: mol29828

SMILES: NC(=S)N/N=C1\C=C(S(=O)(=O)O)c2ccccc2C1=O

InChI: InChI=1S/C11H9N3O4S2/c12-11(19)14-13-8-5-9(20(16,17)18)6-3-1-2-4-7(6)10(8)15/h1-5H,(H3,12,14,19)(H,16,17,18)/b13-8+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization