Molecule ID: mol17686

SMILES: NCC(=O)NCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1

InChI: InChI=1S/C23H22N6O5S/c24-14-22(30)25-11-12-35(33,34)28-16-7-5-15(6-8-16)26-23-18-3-1-2-4-20(18)27-21-13-17(29(31)32)9-10-19(21)23/h1-10,13,28H,11-12,14,24H2,(H,25,30)(H,26,27)

Experimental Macro pKa Values

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