Molecule ID: mol18293

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

InChI: InChI=1S/C21H18ClN3O3S/c1-28-19-12-13(25-29(2,26)27)10-11-18(19)24-20-14-6-3-4-9-17(14)23-21-15(20)7-5-8-16(21)22/h3-12,25H,1-2H3,(H,23,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization