Molecule ID: mol26206

SMILES: CO[C@H]1NC=Nc2ccccc21

InChI: InChI=1S/C9H10N2O/c1-12-9-7-4-2-3-5-8(7)10-6-11-9/h2-6,9H,1H3,(H,10,11)/t9-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization