Molecule ID: mol21478

SMILES: CC(C)C(C#Cc1ccccc1)OC[n+]1ccn(C)c1/C=N/O

InChI: InChI=1S/C18H21N3O2/c1-15(2)17(10-9-16-7-5-4-6-8-16)23-14-21-12-11-20(3)18(21)13-19-22/h4-8,11-13,15,17H,14H2,1-3H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization