Molecule ID: mol18749

SMILES: NC1=NCC(C(=O)O)CN1

InChI: InChI=1S/C5H9N3O2/c6-5-7-1-3(2-8-5)4(9)10/h3H,1-2H2,(H,9,10)(H3,6,7,8)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
12.70 Baltruschat ChEMBL -1 » -2
12.70 Baltruschat ChEMBL -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization