Molecule ID: mol20362

SMILES: NS(=O)(=O)c1cc2c(s1)S(=O)(=O)C(CCN1CCOCC1)CN2

InChI: InChI=1S/C12H19N3O5S3/c13-23(18,19)11-7-10-12(21-11)22(16,17)9(8-14-10)1-2-15-3-5-20-6-4-15/h7,9,14H,1-6,8H2,(H2,13,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization