Molecule ID: mol31982

SMILES: Cc1cc(C)cc(CCOCCS(=O)(=O)NCCNCCc2ccc(O)c3nc(O)sc23)c1

InChI: InChI=1S/C23H31N3O5S2/c1-16-13-17(2)15-18(14-16)6-10-31-11-12-33(29,30)25-9-8-24-7-5-19-3-4-20(27)21-22(19)32-23(28)26-21/h3-4,13-15,24-25,27H,5-12H2,1-2H3,(H,26,28)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization