Molecule ID: mol18305

SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ncccc12

InChI: InChI=1S/C20H18N4O3S/c1-27-18-12-13(24-28(2,25)26)9-10-17(18)22-19-14-6-3-4-8-16(14)23-20-15(19)7-5-11-21-20/h3-12,24H,1-2H3,(H,21,22,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization