Molecule ID: mol29789

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

InChI: InChI=1S/C11H9N3O5S/c12-11(16)14-13-8-5-9(20(17,18)19)6-3-1-2-4-7(6)10(8)15/h1-5H,(H3,12,14,16)(H,17,18,19)/b13-8+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization