Molecule ID: mol20505

SMILES: CC(C)(C)C(O)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1

InChI: InChI=1S/C19H28Cl2N2O2/c1-19(2,3)17(24)12-23-6-4-13(5-7-23)11-22-18(25)14-8-15(20)10-16(21)9-14/h8-10,13,17,24H,4-7,11-12H2,1-3H3,(H,22,25)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization