Molecule ID: mol17669

SMILES: NCCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1

InChI: InChI=1S/C25H28N4O2S/c26-17-7-1-2-8-18-32(30,31)29-20-15-13-19(14-16-20)27-25-21-9-3-5-11-23(21)28-24-12-6-4-10-22(24)25/h3-6,9-16,29H,1-2,7-8,17-18,26H2,(H,27,28)

Experimental Macro pKa Values

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