Molecule ID: mol6997

SMILES: Nc1ncnc(O)c1NCc1ccccc1

InChI: InChI=1S/C11H12N4O/c12-10-9(11(16)15-7-14-10)13-6-8-4-2-1-3-5-8/h1-5,7,13H,6H2,(H3,12,14,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization