Molecule ID: mol21463

SMILES: Cn1cc[n+](COC(c2ccccc2)C2CCCC2)c1/C=N/O

InChI: InChI=1S/C18H23N3O2/c1-20-11-12-21(17(20)13-19-22)14-23-18(16-9-5-6-10-16)15-7-3-2-4-8-15/h2-4,7-8,11-13,16,18H,5-6,9-10,14H2,1H3/p+1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.03 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization