Molecule ID: mol20311

SMILES: COc1cccc(S(=O)(=O)Nc2cccn(CC(=O)NCc3ccc(C(=N)N)cc3)c2=O)c1

InChI: InChI=1S/C22H23N5O5S/c1-32-17-4-2-5-18(12-17)33(30,31)26-19-6-3-11-27(22(19)29)14-20(28)25-13-15-7-9-16(10-8-15)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
10.20 Baltruschat ChEMBL 0 » -1
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Charge States and Microspecies Visualization