Molecule ID: mol34452

SMILES: CC(C)CC(=O)OC(CNC(C)C)COc1cccc2ccccc12

InChI: InChI=1S/C21H29NO3/c1-15(2)12-21(23)25-18(13-22-16(3)4)14-24-20-11-7-9-17-8-5-6-10-19(17)20/h5-11,15-16,18,22H,12-14H2,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization