Molecule ID: mol19646

SMILES: COc1cccc2c1c(NS(=O)(=O)c1cccc(Cl)c1)nn2Cc1cccc(CNC(=O)C(C)(C)O)c1

InChI: InChI=1S/C26H27ClN4O5S/c1-26(2,33)25(32)28-15-17-7-4-8-18(13-17)16-31-21-11-6-12-22(36-3)23(21)24(29-31)30-37(34,35)20-10-5-9-19(27)14-20/h4-14,33H,15-16H2,1-3H3,(H,28,32)(H,29,30)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization