Molecule ID: mol31650

SMILES: CCNCCS/C(=N\O)c1ccc(Br)cc1

InChI: InChI=1S/C11H15BrN2OS/c1-2-13-7-8-16-11(14-15)9-3-5-10(12)6-4-9/h3-6,13,15H,2,7-8H2,1H3/b14-11-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization