Molecule ID: mol14170

SMILES: NC(=O)CCc1ccccn1

InChI: InChI=1S/C8H10N2O/c9-8(11)5-4-7-3-1-2-6-10-7/h1-3,6H,4-5H2,(H2,9,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization