Molecule ID: mol14236

SMILES: OCCCCc1cccnc1

InChI: InChI=1S/C9H13NO/c11-7-2-1-4-9-5-3-6-10-8-9/h3,5-6,8,11H,1-2,4,7H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization