Molecule ID: mol2344

SMILES: CCCCc1cc(C)c(O)cc1C

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

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.74 IUPAC digitized pKa 0 » -1
10.74 Hunt 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization