Molecule ID: mol4743

SMILES: Oc1ncnc2ncc(CNc3ccccc3)nc12

InChI: InChI=1S/C13H11N5O/c19-13-11-12(16-8-17-13)15-7-10(18-11)6-14-9-4-2-1-3-5-9/h1-5,7-8,14H,6H2,(H,15,16,17,19)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.93 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization