Molecule ID: mol18952

SMILES: Cn1cc[n+](COCC2CCCCC2)c1/C=N/O

InChI: InChI=1S/C13H21N3O2/c1-15-7-8-16(13(15)9-14-17)11-18-10-12-5-3-2-4-6-12/h7-9,12H,2-6,10-11H2,1H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization