Molecule ID: mol34478

SMILES: C=CCc1ccccc1OCC(CNC(C)C)OC(=O)C1CC1

InChI: InChI=1S/C19H27NO3/c1-4-7-15-8-5-6-9-18(15)22-13-17(12-20-14(2)3)23-19(21)16-10-11-16/h4-6,8-9,14,16-17,20H,1,7,10-13H2,2-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization