Molecule ID: mol20081

SMILES: CN1CC[C@H]2CCC[C@@H](OC(=O)c3ccc(Cl)cc3)[C@@H]2C1

InChI: InChI=1S/C17H22ClNO2/c1-19-10-9-12-3-2-4-16(15(12)11-19)21-17(20)13-5-7-14(18)8-6-13/h5-8,12,15-16H,2-4,9-11H2,1H3/t12-,15-,16-/m1/s1

Experimental Macro pKa Values

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