Molecule ID: mol20506

SMILES: CC(C)(C)CCN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1

InChI: InChI=1S/C19H28Cl2N2O/c1-19(2,3)6-9-23-7-4-14(5-8-23)13-22-18(24)15-10-16(20)12-17(21)11-15/h10-12,14H,4-9,13H2,1-3H3,(H,22,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization