Molecule ID: mol25265

SMILES: COc1cc(C)n[nH]1

InChI: InChI=1S/C5H8N2O/c1-4-3-5(8-2)7-6-4/h3H,1-2H3,(H,6,7)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization