Molecule ID: mol6358

SMILES: Cn1cccc(N)c1=O

InChI: InChI=1S/C6H8N2O/c1-8-4-2-3-5(7)6(8)9/h2-4H,7H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization