Molecule ID: mol36781

SMILES: O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1

InChI: InChI=1S/C21H24ClNO2/c22-19-10-8-18(9-11-19)21(25)12-15-23(16-13-21)14-4-7-20(24)17-5-2-1-3-6-17/h1-3,5-6,8-11,25H,4,7,12-16H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.20 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization