Molecule ID: mol20364

SMILES: CC(C)CNCCC1CNc2cc(S(N)(=O)=O)sc2S1(=O)=O

InChI: InChI=1S/C12H21N3O4S3/c1-8(2)6-14-4-3-9-7-15-10-5-11(22(13,18)19)20-12(10)21(9,16)17/h5,8-9,14-15H,3-4,6-7H2,1-2H3,(H2,13,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization