Molecule ID: mol34978

SMILES: CCC(=O)C1(c2cccc(OC(C)=O)c2)CCN(C)CC1

InChI: InChI=1S/C17H23NO3/c1-4-16(20)17(8-10-18(3)11-9-17)14-6-5-7-15(12-14)21-13(2)19/h5-7,12H,4,8-11H2,1-3H3

Experimental Macro pKa Values

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