Molecule ID: mol16702

SMILES: O=C(O)c1c[nH]c2cc(F)c(-c3ccc(C4(O)CCC4)cc3)c(F)c12

InChI: InChI=1S/C19H15F2NO3/c20-13-8-14-16(12(9-22-14)18(23)24)17(21)15(13)10-2-4-11(5-3-10)19(25)6-1-7-19/h2-5,8-9,22,25H,1,6-7H2,(H,23,24)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.90 Baltruschat ChEMBL 0 » -1
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Charge States and Microspecies Visualization