Molecule ID: mol19609

SMILES: Cc1ccccc1OCCN1CCN(CC(=O)Nc2nccs2)CC1

InChI: InChI=1S/C18H24N4O2S/c1-15-4-2-3-5-16(15)24-12-11-21-7-9-22(10-8-21)14-17(23)20-18-19-6-13-25-18/h2-6,13H,7-12,14H2,1H3,(H,19,20,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization