Molecule ID: mol16382

SMILES: O=c1ccc(-c2ccc(S(=O)(=O)Nc3cccc4c3CCCC4)s2)n[nH]1

InChI: InChI=1S/C18H17N3O3S2/c22-17-10-8-15(19-20-17)16-9-11-18(25-16)26(23,24)21-14-7-3-5-12-4-1-2-6-13(12)14/h3,5,7-11,21H,1-2,4,6H2,(H,20,22)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.50 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization