Molecule ID: mol9987

SMILES: CC(C)(C)C#CC(=O)O

InChI: InChI=1S/C7H10O2/c1-7(2,3)5-4-6(8)9/h1-3H3,(H,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization