Molecule ID: mol15945

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

InChI: InChI=1S/C4H7ClO2/c1-4(2,5)3(6)7/h1-2H3,(H,6,7)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization