Molecule ID: mol18436

SMILES: CN1C2CCC1CC(=NOC(c1ccccc1)c1ccc(Cl)cc1)C2

InChI: InChI=1S/C21H23ClN2O/c1-24-19-11-12-20(24)14-18(13-19)23-25-21(15-5-3-2-4-6-15)16-7-9-17(22)10-8-16/h2-10,19-21H,11-14H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization