Molecule ID: mol21502

SMILES: C#CCCCC[n+]1ccc(/C=N/O)cc1

InChI: InChI=1S/C12H14N2O/c1-2-3-4-5-8-14-9-6-12(7-10-14)11-13-15/h1,6-7,9-11H,3-5,8H2/p+1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.36 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization