Molecule ID: mol12682

SMILES: OCCCCCc1ccncc1

InChI: InChI=1S/C10H15NO/c12-9-3-1-2-4-10-5-7-11-8-6-10/h5-8,12H,1-4,9H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization