Molecule ID: mol19365

SMILES: CC(C)NC1=NS(=O)(=O)c2cc(Cl)ccc2N1

InChI: InChI=1S/C10H12ClN3O2S/c1-6(2)12-10-13-8-4-3-7(11)5-9(8)17(15,16)14-10/h3-6H,1-2H3,(H2,12,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization