Molecule ID: mol20356

SMILES: COCCN(CCOC)CCC1CNc2cc(S(N)(=O)=O)sc2S1(=O)=O

InChI: InChI=1S/C14H25N3O6S3/c1-22-7-5-17(6-8-23-2)4-3-11-10-16-12-9-13(26(15,20)21)24-14(12)25(11,18)19/h9,11,16H,3-8,10H2,1-2H3,(H2,15,20,21)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization