Molecule ID: mol21500

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

InChI: InChI=1S/C12H17N3O2/c1-4-6-11(5-2)17-10-15-8-7-14(3)12(15)9-13-16/h2,7-9,11H,4,6,10H2,1,3H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization