Molecule ID: mol9804

SMILES: O=C1NC(=O)C(CCCNO)N1

InChI: InChI=1S/C6H11N3O3/c10-5-4(2-1-3-7-12)8-6(11)9-5/h4,7,12H,1-3H2,(H2,8,9,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization