Molecule ID: mol38360

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

InChI: InChI=1S/C20H27NO3/c1-4-8-20(22)24-17(13-21-15(2)3)14-23-19-12-7-10-16-9-5-6-11-18(16)19/h5-7,9-12,15,17,21H,4,8,13-14H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization