Molecule ID: mol16738

SMILES: COc1ccc(CNC(=N)C(Cl)(Cl)Br)cc1

InChI: InChI=1S/C10H11BrCl2N2O/c1-16-8-4-2-7(3-5-8)6-15-9(14)10(11,12)13/h2-5H,6H2,1H3,(H2,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization