Molecule ID: mol14248

SMILES: NCCC(=O)c1ccccc1

InChI: InChI=1S/C9H11NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6-7,10H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization