Molecule ID: mol18325

SMILES: O=C(c1cccs1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1

InChI: InChI=1S/C20H17ClN2OS/c21-16-5-1-4-14(12-16)17-9-8-15(13-22-17)18-6-2-10-23(18)20(24)19-7-3-11-25-19/h1,3-5,7-9,11-13,18H,2,6,10H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization