Molecule ID: mol18299

SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(-c3ccccc3)cccc12

InChI: InChI=1S/C27H23N3O3S/c1-33-25-17-19(30-34(2,31)32)15-16-24(25)29-27-21-11-6-7-14-23(21)28-26-20(12-8-13-22(26)27)18-9-4-3-5-10-18/h3-17,30H,1-2H3,(H,28,29)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization