Molecule ID: mol32008

SMILES: Cc1cc(C)cc(CCOCNS(=O)(=O)CCCNCCc2ccc(O)c3nc(O)sc23)c1

InChI: InChI=1S/C23H31N3O5S2/c1-16-12-17(2)14-18(13-16)7-10-31-15-25-33(29,30)11-3-8-24-9-6-19-4-5-20(27)21-22(19)32-23(28)26-21/h4-5,12-14,24-25,27H,3,6-11,15H2,1-2H3,(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