Molecule ID: mol19366

SMILES: CCCNC1=NS(=O)(=O)c2c(Cl)cccc2N1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization