Molecule ID: mol20355

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

InChI: InChI=1S/C16H29N3O7S3/c1-24-7-5-19(6-8-26-10-9-25-2)4-3-13-12-18-14-11-15(29(17,22)23)27-16(14)28(13,20)21/h11,13,18H,3-10,12H2,1-2H3,(H2,17,22,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization