Molecule ID: mol18269

SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(OCCO)cccc12

InChI: InChI=1S/C23H23N3O5S/c1-30-21-14-15(26-32(2,28)29)10-11-19(21)25-22-16-6-3-4-8-18(16)24-23-17(22)7-5-9-20(23)31-13-12-27/h3-11,14,26-27H,12-13H2,1-2H3,(H,24,25)

Experimental Macro pKa Values

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