Molecule ID: mol18483

SMILES: CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1

InChI: InChI=1S/C25H29ClN4O5S/c1-4-5-10-22-28-24(26)21(15-23(31)35-2)30(22)16-17-11-13-18(14-12-17)27-25(32)19-8-6-7-9-20(19)29-36(3,33)34/h6-9,11-14,29H,4-5,10,15-16H2,1-3H3,(H,27,32)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization