Molecule ID: mol21310

SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2cccc(OC)c2nc2c(OC)cccc12

InChI: InChI=1S/C23H23N3O5S/c1-29-18-9-5-7-15-21(16-8-6-10-19(30-2)23(16)25-22(15)18)24-17-12-11-14(13-20(17)31-3)26-32(4,27)28/h5-13,26H,1-4H3,(H,24,25)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization