Molecule ID: mol18955

SMILES: Cn1cc[n+](COC(=O)c2ccc3ccccc3c2)c1/C=N/O

InChI: InChI=1S/C17H15N3O3/c1-19-8-9-20(16(19)11-18-22)12-23-17(21)15-7-6-13-4-2-3-5-14(13)10-15/h2-11H,12H2,1H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization