Molecule ID: mol17751

SMILES: CCCCc1cc(OC2CCN(CCS(=O)(=O)CC)CC2)c2ncccc2c1

InChI: InChI=1S/C22H32N2O3S/c1-3-5-7-18-16-19-8-6-11-23-22(19)21(17-18)27-20-9-12-24(13-10-20)14-15-28(25,26)4-2/h6,8,11,16-17,20H,3-5,7,9-10,12-15H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization