Molecule ID: mol7846

SMILES: NC(=O)c1ncc2ccccc2n1

InChI: InChI=1S/C9H7N3O/c10-8(13)9-11-5-6-3-1-2-4-7(6)12-9/h1-5H,(H2,10,13)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
0.53 QSARToolbox 1 » 0
0.53 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization