Molecule ID: mol17697

SMILES: CC(=O)Nc1ccc2c(Nc3ccc(NS(=O)(=O)CCNC(=N)N)cc3)c3ccc([N+](=O)[O-])cc3nc2c1

InChI: InChI=1S/C24H24N8O5S/c1-14(33)28-17-6-8-19-21(12-17)30-22-13-18(32(34)35)7-9-20(22)23(19)29-15-2-4-16(5-3-15)31-38(36,37)11-10-27-24(25)26/h2-9,12-13,31H,10-11H2,1H3,(H,28,33)(H,29,30)(H4,25,26,27)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.55 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization