Molecule ID: mol2989

SMILES: O=C(Nc1nccs1)C(CC1CCCC1)c1ccc(Cl)cc1

InChI: InChI=1S/C17H19ClN2OS/c18-14-7-5-13(6-8-14)15(11-12-3-1-2-4-12)16(21)20-17-19-9-10-22-17/h5-10,12,15H,1-4,11H2,(H,19,20,21)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.50 Novartis 0 » -1
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Charge States and Microspecies Visualization