Molecule ID: mol10827

SMILES: O=C(O)C#Cc1ccccc1

InChI: InChI=1S/C9H6O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization