Molecule ID: mol20456

SMILES: O=C(O)C1CCOc2ccc(Cl)cc21

InChI: InChI=1S/C10H9ClO3/c11-6-1-2-9-8(5-6)7(10(12)13)3-4-14-9/h1-2,5,7H,3-4H2,(H,12,13)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.90 Baltruschat ChEMBL 0 » -1
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Charge States and Microspecies Visualization