Molecule ID: mol19608

SMILES: O=C(c1cccs1)N1CCN(CCOc2ccc(Cl)cc2Cl)CC1

InChI: InChI=1S/C17H18Cl2N2O2S/c18-13-3-4-15(14(19)12-13)23-10-9-20-5-7-21(8-6-20)17(22)16-2-1-11-24-16/h1-4,11-12H,5-10H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization