Molecule ID: mol20359

SMILES: CC(C)CNC(=O)CC1Sc2sc(S(N)(=O)=O)cc2NC1=O

InChI: InChI=1S/C12H17N3O4S3/c1-6(2)5-14-9(16)4-8-11(17)15-7-3-10(22(13,18)19)21-12(7)20-8/h3,6,8H,4-5H2,1-2H3,(H,14,16)(H,15,17)(H2,13,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization