Molecule ID: mol21455

SMILES: Cn1cc[n+](COC/C=C/C(C)(C)C)c1/C=N/O

InChI: InChI=1S/C13H21N3O2/c1-13(2,3)6-5-9-18-11-16-8-7-15(4)12(16)10-14-17/h5-8,10H,9,11H2,1-4H3/p+1/b6-5+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization