Molecule ID: mol18326

SMILES: O=C(c1cncs1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1

InChI: InChI=1S/C19H16ClN3OS/c20-15-4-1-3-13(9-15)16-7-6-14(10-22-16)17-5-2-8-23(17)19(24)18-11-21-12-25-18/h1,3-4,6-7,9-12,17H,2,5,8H2

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