Molecule ID: mol31637

SMILES: CCNCCS/C(=N\O)C(=O)c1ccccc1

InChI: InChI=1S/C12H16N2O2S/c1-2-13-8-9-17-12(14-16)11(15)10-6-4-3-5-7-10/h3-7,13,16H,2,8-9H2,1H3/b14-12-

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.60 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization