Molecule ID: mol36313

SMILES: O=C(O)Cn1nnc(CCn2nnc(-c3ccccc3)n2)n1

InChI: InChI=1S/C12H12N8O2/c21-11(22)8-20-15-10(13-17-20)6-7-19-16-12(14-18-19)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,21,22)

Experimental Macro pKa Values

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