Molecule ID: mol1306

SMILES: COc1ccc([C@@H]2CCCN2C)cc1

InChI: InChI=1S/C12H17NO/c1-13-9-3-4-12(13)10-5-7-11(14-2)8-6-10/h5-8,12H,3-4,9H2,1-2H3/t12-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.90 Hunt 1 » 0
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Charge States and Microspecies Visualization