Molecule ID: mol32408

SMILES: NCC(O)C1NC(N)=NC1C(=O)O

InChI: InChI=1S/C6H12N4O3/c7-1-2(11)3-4(5(12)13)10-6(8)9-3/h2-4,11H,1,7H2,(H,12,13)(H3,8,9,10)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.40 OCHEM 2 » 1
11.90 OCHEM -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization