Molecule ID: mol34971

SMILES: CC1Sc2ncnc(N3CCCCC3)c2NC1=O

InChI: InChI=1S/C12H16N4OS/c1-8-11(17)15-9-10(13-7-14-12(9)18-8)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3,(H,15,17)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.77 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization