Molecule ID: mol26456

SMILES: CCOc1nc2ccccc2n1C

InChI: InChI=1S/C10H12N2O/c1-3-13-10-11-8-6-4-5-7-9(8)12(10)2/h4-7H,3H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization