Molecule ID: mol18594

SMILES: CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(Cl)ccc23)cc1

InChI: InChI=1S/C20H16ClN3O2S/c1-27(25,26)24-15-9-7-14(8-10-15)22-20-16-4-2-3-5-18(16)23-19-12-13(21)6-11-17(19)20/h2-12,24H,1H3,(H,22,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization