Molecule ID: mol18399

SMILES: CNC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccc([N+](=O)[O-])cc3nc12

InChI: InChI=1S/C23H21N5O6S/c1-24-23(29)17-6-4-5-16-21(15-9-8-14(28(30)31)12-19(15)26-22(16)17)25-18-10-7-13(11-20(18)34-2)27-35(3,32)33/h4-12,27H,1-3H3,(H,24,29)(H,25,26)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.71 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization