Molecule ID: mol36182

SMILES: O=C(O)CNC(=O)c1ccccn1

InChI: InChI=1S/C8H8N2O3/c11-7(12)5-10-8(13)6-3-1-2-4-9-6/h1-4H,5H2,(H,10,13)(H,11,12)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.85 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization