Molecule ID: mol25858

SMILES: OCn1ccnc1

InChI: InChI=1S/C4H6N2O/c7-4-6-2-1-5-3-6/h1-3,7H,4H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization