Molecule ID: mol20320

SMILES: COc1cccc(S(=O)(=O)Nc2cccn(CC(=O)NCc3nc(C(=N)N)cs3)c2=O)c1

InChI: InChI=1S/C19H20N6O5S2/c1-30-12-4-2-5-13(8-12)32(28,29)24-14-6-3-7-25(19(14)27)10-16(26)22-9-17-23-15(11-31-17)18(20)21/h2-8,11,24H,9-10H2,1H3,(H3,20,21)(H,22,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization