Molecule ID: mol21210

SMILES: CC1(C)CCc2cc(O)c(Cl)cc2O1

InChI: InChI=1S/C11H13ClO2/c1-11(2)4-3-7-5-9(13)8(12)6-10(7)14-11/h5-6,13H,3-4H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.10 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization