Molecule ID: mol36522

SMILES: CN=C(N)SC1C(=O)N(c2ccccc2)N=C1C

InChI: InChI=1S/C12H14N4OS/c1-8-10(18-12(13)14-2)11(17)16(15-8)9-6-4-3-5-7-9/h3-7,10H,1-2H3,(H2,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization