Molecule ID: mol30602

SMILES: CCCc1ccc(CCC)c(O)c1

InChI: InChI=1S/C12H18O/c1-3-5-10-7-8-11(6-4-2)12(13)9-10/h7-9,13H,3-6H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization