Molecule ID: mol26458

SMILES: NCCC1C=Nc2ccc(O)cc21

InChI: InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-7,13H,3-4,11H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.90 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization