Molecule ID: mol19389

SMILES: CCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(NC(C)=O)ccc23)c(OC)c1

InChI: InChI=1S/C28H32N4O4S/c1-4-5-6-9-16-37(34,35)32-21-13-15-25(27(18-21)36-3)31-28-22-10-7-8-11-24(22)30-26-17-20(29-19(2)33)12-14-23(26)28/h7-8,10-15,17-18,32H,4-6,9,16H2,1-3H3,(H,29,33)(H,30,31)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization