Molecule ID: mol16703

SMILES: O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(OCCO)cc3)cc12

InChI: InChI=1S/C17H14ClNO4/c18-15-8-16-13(14(9-19-16)17(21)22)7-12(15)10-1-3-11(4-2-10)23-6-5-20/h1-4,7-9,19-20H,5-6H2,(H,21,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization