Molecule ID: mol18386

SMILES: CCC(CC)CNC(=O)c1cnc(Nc2cccc(Cl)c2)cc1C(C)C

InChI: InChI=1S/C21H28ClN3O/c1-5-15(6-2)12-24-21(26)19-13-23-20(11-18(19)14(3)4)25-17-9-7-8-16(22)10-17/h7-11,13-15H,5-6,12H2,1-4H3,(H,23,25)(H,24,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization