Molecule ID: mol11395

SMILES: O=S(O)CCCCc1ccccc1

InChI: InChI=1S/C10H14O2S/c11-13(12)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,11,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.23 IUPAC digitized pKa 0 » -1
2.23 Datawarrior 0 » -1
2.23 OCHEM 0 » -1
2.23 AttenGpKa training set 0 » -1
2.23 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization