Molecule ID: mol21497

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

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization