Molecule ID: mol9985

SMILES: CCCCC#CC(=O)O

InChI: InChI=1S/C7H10O2/c1-2-3-4-5-6-7(8)9/h2-4H2,1H3,(H,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization