Molecule ID: mol21484

SMILES: C#CCC(OC[n+]1ccn(C)c1/C=N/O)c1ccccc1

InChI: InChI=1S/C16H17N3O2/c1-3-7-15(14-8-5-4-6-9-14)21-13-19-11-10-18(2)16(19)12-17-20/h1,4-6,8-12,15H,7,13H2,2H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization