Molecule ID: mol31141

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

InChI: InChI=1S/C8H12O2/c1-6(4-7(2)9)5-8(3)10/h4-5,9H,1-3H3/b6-5+,7-4-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization