Molecule ID: mol867

SMILES: CCNCCC(=O)C(c1ccccc1)c1ccccc1

InChI: InChI=1S/C18H21NO/c1-2-19-14-13-17(20)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,18-19H,2,13-14H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization