Molecule ID: mol17683

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

InChI: InChI=1S/C23H23N5O3S/c24-15-22(29)25-13-14-32(30,31)28-17-11-9-16(10-12-17)26-23-18-5-1-3-7-20(18)27-21-8-4-2-6-19(21)23/h1-12,28H,13-15,24H2,(H,25,29)(H,26,27)

Experimental Macro pKa Values

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