Molecule ID: mol13613

SMILES: CC(=O)n1ccnc1C

InChI: InChI=1S/C6H8N2O/c1-5-7-3-4-8(5)6(2)9/h3-4H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization