Molecule ID: mol37857

SMILES: COc1ccc(-n2cc(/C=N\O)[n+](C)c2SC)cc1

InChI: InChI=1S/C13H15N3O2S/c1-15-11(8-14-17)9-16(13(15)19-3)10-4-6-12(18-2)7-5-10/h4-9H,1-3H3/p+1/b14-8-

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.38 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization