Molecule ID: mol25482

SMILES: Cn1c(=O)nc(O)n1-c1ccccc1

InChI: InChI=1S/C9H9N3O2/c1-11-8(13)10-9(14)12(11)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,13,14)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.97 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization