Molecule ID: mol20202

SMILES: COC(=O)c1ccccc1Nc1c2ccccc2nc2ccccc12

InChI: InChI=1S/C21H16N2O2/c1-25-21(24)16-10-4-7-13-19(16)23-20-14-8-2-5-11-17(14)22-18-12-6-3-9-15(18)20/h2-13H,1H3,(H,22,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization