Molecule ID: mol4594

SMILES: COc1nncc2ccccc12

InChI: InChI=1S/C9H8N2O/c1-12-9-8-5-3-2-4-7(8)6-10-11-9/h2-6H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization