Molecule ID: mol35011

SMILES: CC(C)(C)C1CSC(Nc2cccnc2)=N1

InChI: InChI=1S/C12H17N3S/c1-12(2,3)10-8-16-11(15-10)14-9-5-4-6-13-7-9/h4-7,10H,8H2,1-3H3,(H,14,15)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.89 QSARToolbox 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization