Molecule ID: mol34879

SMILES: COc1ncnc2c1N=C(N)C(C)(C)S2

InChI: InChI=1S/C9H12N4OS/c1-9(2)8(10)13-5-6(14-3)11-4-12-7(5)15-9/h4H,1-3H3,(H2,10,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization