Molecule ID: mol18946

SMILES: Cn1cc[n+](COCC2CCCc3ccccc32)c1/C=N/O

InChI: InChI=1S/C17H21N3O2/c1-19-9-10-20(17(19)11-18-21)13-22-12-15-7-4-6-14-5-2-3-8-16(14)15/h2-3,5,8-11,15H,4,6-7,12-13H2,1H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization