Molecule ID: mol13770

SMILES: N=C1C=C(N)C(=O)c2ccccc21

InChI: InChI=1S/C10H8N2O/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H,12H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization