Molecule ID: mol21570

SMILES: O=C(O)CCCCc1cc(=O)oc2cc(O)ccc12

InChI: InChI=1S/C14H14O5/c15-10-5-6-11-9(3-1-2-4-13(16)17)7-14(18)19-12(11)8-10/h5-8,15H,1-4H2,(H,16,17)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.80 Baltruschat ChEMBL -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization