Molecule ID: mol5991

SMILES: NC1(N)C=CC(S(=O)(=O)O)=CC1

InChI: InChI=1S/C6H10N2O3S/c7-6(8)3-1-5(2-4-6)12(9,10)11/h1-3H,4,7-8H2,(H,9,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.29 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization