Molecule ID: mol16136

SMILES: CNCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12

InChI: InChI=1S/C18H16ClNO3/c1-20-10-13-8-18(21)23-17-9-15(5-6-16(13)17)22-11-12-3-2-4-14(19)7-12/h2-9,20H,10-11H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization