Molecule ID: mol13102

SMILES: C=C(C)C=C(O)C=C(C)C

InChI: InChI=1S/C9H14O/c1-7(2)5-9(10)6-8(3)4/h5-6,10H,1H2,2-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization