Molecule ID: mol14241

SMILES: OCCCCc1ccncc1

InChI: InChI=1S/C9H13NO/c11-8-2-1-3-9-4-6-10-7-5-9/h4-7,11H,1-3,8H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization