Molecule ID: mol14169

SMILES: NC(=O)CCc1ccncc1

InChI: InChI=1S/C8H10N2O/c9-8(11)2-1-7-3-5-10-6-4-7/h3-6H,1-2H2,(H2,9,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization