Molecule ID: mol17682

SMILES: Cc1ccc2c(Nc3ccc(NS(=O)(=O)CCCCN)cc3)c3ccc([N+](=O)[O-])cc3nc2c1C

InChI: InChI=1S/C25H27N5O4S/c1-16-5-11-22-24(17(16)2)28-23-15-20(30(31)32)10-12-21(23)25(22)27-18-6-8-19(9-7-18)29-35(33,34)14-4-3-13-26/h5-12,15,29H,3-4,13-14,26H2,1-2H3,(H,27,28)

Experimental Macro pKa Values

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