Molecule ID: mol25710

SMILES: C[n+]1c(O)ccnc1N

InChI: InChI=1S/C5H7N3O/c1-8-4(9)2-3-7-5(8)6/h2-3H,1H3,(H2,6,7,9)/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization