Molecule ID: mol20605

SMILES: Cc1ccn(NS(=O)(=O)c2ccccc2)c(=O)c1CC(=O)NCc1ccc(C(=N)N)cc1

InChI: InChI=1S/C22H23N5O4S/c1-15-11-12-27(26-32(30,31)18-5-3-2-4-6-18)22(29)19(15)13-20(28)25-14-16-7-9-17(10-8-16)21(23)24/h2-12,26H,13-14H2,1H3,(H3,23,24)(H,25,28)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.90 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization