Molecule ID: mol35367

SMILES: CCCCCCCc1ccc(C(=O)c2cccc(C(=O)O)c2)cc1

InChI: InChI=1S/C21H24O3/c1-2-3-4-5-6-8-16-11-13-17(14-12-16)20(22)18-9-7-10-19(15-18)21(23)24/h7,9-15H,2-6,8H2,1H3,(H,23,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization