Molecule ID: mol12526

SMILES: O=C(O)/C=C/SC1CCCCC1

InChI: InChI=1S/C9H14O2S/c10-9(11)6-7-12-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,10,11)/b7-6+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization