Molecule ID: mol30500

SMILES: N=C(N)c1ccccc1O

InChI: InChI=1S/C7H8N2O/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H,(H3,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization