Molecule ID: mol14166

SMILES: NC(=O)CCc1cccnc1

InChI: InChI=1S/C8H10N2O/c9-8(11)4-3-7-2-1-5-10-6-7/h1-2,5-6H,3-4H2,(H2,9,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization