Molecule ID: mol17684

SMILES: NCCC(=O)NCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1

InChI: InChI=1S/C24H25N5O3S/c25-14-13-23(30)26-15-16-33(31,32)29-18-11-9-17(10-12-18)27-24-19-5-1-3-7-21(19)28-22-8-4-2-6-20(22)24/h1-12,29H,13-16,25H2,(H,26,30)(H,27,28)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.91 Baltruschat ChEMBL 2 » 1
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Charge States and Microspecies Visualization