Molecule ID: mol17674

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

InChI: InChI=1S/C25H27N5O4S/c26-15-5-1-2-6-16-35(33,34)29-19-11-9-18(10-12-19)27-25-21-7-3-4-8-23(21)28-24-17-20(30(31)32)13-14-22(24)25/h3-4,7-14,17,29H,1-2,5-6,15-16,26H2,(H,27,28)

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