Molecule ID: mol18418

SMILES: C=CCn1cc(/C=N\O)[n+](C)c1SC

InChI: InChI=1S/C9H13N3OS/c1-4-5-12-7-8(6-10-13)11(2)9(12)14-3/h4,6-7H,1,5H2,2-3H3/p+1/b10-6-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization