Molecule ID: mol20681

SMILES: Cc1ncc(C2CCN(C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)n1C

InChI: InChI=1S/C23H26ClN3O3S/c1-16-25-15-22(26(16)2)17-7-10-27(11-8-17)23(28)9-12-31(29,30)21-6-4-18-13-20(24)5-3-19(18)14-21/h3-6,13-15,17H,7-12H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization