Molecule ID: mol2930

SMILES: Cc1nc(N2CCN(Cc3ccccc3)C2=O)sc1C(=O)NCc1ccccn1

InChI: InChI=1S/C21H21N5O2S/c1-15-18(19(27)23-13-17-9-5-6-10-22-17)29-20(24-15)26-12-11-25(21(26)28)14-16-7-3-2-4-8-16/h2-10H,11-14H2,1H3,(H,23,27)

Experimental Macro pKa Values

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