Molecule ID: mol36312

SMILES: O=C(O)Cn1nnc(CCCn2nnc(-c3ccccc3)n2)n1

InChI: InChI=1S/C13H14N8O2/c22-12(23)9-21-16-11(14-18-21)7-4-8-20-17-13(15-19-20)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,22,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization