Molecule ID: mol14111

SMILES: C=C(C)C1=C(O)CC(C)CC1

InChI: InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8,11H,1,4-6H2,2-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization