Molecule ID: mol16700

SMILES: N#Cc1cc2[nH]cc(C(=O)O)c2cc1-c1ccc(C2(O)CCC2)cc1

InChI: InChI=1S/C20H16N2O3/c21-10-13-8-18-16(17(11-22-18)19(23)24)9-15(13)12-2-4-14(5-3-12)20(25)6-1-7-20/h2-5,8-9,11,22,25H,1,6-7H2,(H,23,24)

Experimental Macro pKa Values

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