Molecule ID: mol12990

SMILES: NC(=O)Cc1ccncc1

InChI: InChI=1S/C7H8N2O/c8-7(10)5-6-1-3-9-4-2-6/h1-4H,5H2,(H2,8,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization