Molecule ID: mol18377

SMILES: CC(C)c1cc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC1CCOCC1

InChI: InChI=1S/C21H25Cl2N3O2/c1-13(2)16-10-20(26-19-4-3-15(22)9-18(19)23)24-12-17(16)21(27)25-11-14-5-7-28-8-6-14/h3-4,9-10,12-14H,5-8,11H2,1-2H3,(H,24,26)(H,25,27)

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