Molecule ID: mol16677

SMILES: O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(C4(O)CCC4)cc3)cc12

InChI: InChI=1S/C19H16ClNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23)

Experimental Macro pKa Values

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