Molecule ID: mol16273

SMILES: Cc1cc(F)ccc1-c1c(Oc2ccc(/C=C/C(=O)O)cc2)c2ccccc2oc1=O

InChI: InChI=1S/C25H17FO5/c1-15-14-17(26)9-12-19(15)23-24(20-4-2-3-5-21(20)31-25(23)29)30-18-10-6-16(7-11-18)8-13-22(27)28/h2-14H,1H3,(H,27,28)/b13-8+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization