Molecule ID: mol17000

SMILES: CN1CC(C(=O)Nc2ccc(Cl)cc2)C(=O)C1=O

InChI: InChI=1S/C12H11ClN2O3/c1-15-6-9(10(16)12(15)18)11(17)14-8-4-2-7(13)3-5-8/h2-5,9H,6H2,1H3,(H,14,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization