Molecule ID: mol21465

SMILES: Cn1cc[n+](COC/C=C/c2ccccc2)c1/C=N/O

InChI: InChI=1S/C15H17N3O2/c1-17-9-10-18(15(17)12-16-19)13-20-11-5-8-14-6-3-2-4-7-14/h2-10,12H,11,13H2,1H3/p+1/b8-5+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization