Molecule ID: mol11940

SMILES: O=C(O)c1ccc(C23CCCCC2C3)cc1

InChI: InChI=1S/C14H16O2/c15-13(16)10-4-6-11(7-5-10)14-8-2-1-3-12(14)9-14/h4-7,12H,1-3,8-9H2,(H,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization