Molecule ID: mol31671

SMILES: O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1

InChI: InChI=1S/C21H23BrFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2

Experimental Macro pKa Values

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