Molecule ID: mol14172

SMILES: CCNC(=O)c1ccccn1

InChI: InChI=1S/C8H10N2O/c1-2-9-8(11)7-5-3-4-6-10-7/h3-6H,2H2,1H3,(H,9,11)

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