Molecule ID: mol16598

SMILES: OCCNc1c2ccccc2nc2c1[nH]c1ccccc12

InChI: InChI=1S/C17H15N3O/c21-10-9-18-15-11-5-1-3-7-13(11)19-16-12-6-2-4-8-14(12)20-17(15)16/h1-8,20-21H,9-10H2,(H,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization