Molecule ID: mol7836

SMILES: O=C1CC(=O)N2CCCCC2=N1

InChI: InChI=1S/C8H10N2O2/c11-7-5-8(12)10-4-2-1-3-6(10)9-7/h1-5H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.24 IUPAC digitized pKa 1 » 0
7.07 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization