Molecule ID: mol12991

SMILES: CNC(=O)c1ccccn1

InChI: InChI=1S/C7H8N2O/c1-8-7(10)6-4-2-3-5-9-6/h2-5H,1H3,(H,8,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization