Molecule ID: mol14239

SMILES: COCCNc1ccccc1

InChI: InChI=1S/C9H13NO/c1-11-8-7-10-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization