Molecule ID: mol34026

SMILES: O=C(O)Cc1nsc2ccccc12

InChI: InChI=1S/C9H7NO2S/c11-9(12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H,11,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.59 QSARToolbox 0 » -1
3.59 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization