Molecule ID: mol16664

SMILES: O=C(NCc1ccc(CNCc2ncc[nH]2)cc1)c1csc2nc[nH]c(=O)c12

InChI: InChI=1S/C19H18N6O2S/c26-17(14-10-28-19-16(14)18(27)24-11-25-19)23-8-13-3-1-12(2-4-13)7-20-9-15-21-5-6-22-15/h1-6,10-11,20H,7-9H2,(H,21,22)(H,23,26)(H,24,25,27)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.50 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization