Molecule ID: mol9245

SMILES: CCCCS(=O)O

InChI: InChI=1S/C4H10O2S/c1-2-3-4-7(5)6/h2-4H2,1H3,(H,5,6)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.10 QSARToolbox 0 » -1
2.11 QSARToolbox 0 » -1
2.11 IUPAC digitized pKa 0 » -1
2.20 Datawarrior 0 » -1
2.20 OCHEM 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization