Molecule ID: mol20604

SMILES: CC1=C(CC(=O)NCc2ccc(C(=N)N)cc2)C(=O)N(NS(=O)(=O)c2cc(C)ccc2C)CC1

InChI: InChI=1S/C24H29N5O4S/c1-15-4-5-17(3)21(12-15)34(32,33)28-29-11-10-16(2)20(24(29)31)13-22(30)27-14-18-6-8-19(9-7-18)23(25)26/h4-9,12,28H,10-11,13-14H2,1-3H3,(H3,25,26)(H,27,30)

Experimental Macro pKa Values

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