Molecule ID: mol29424

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

InChI: InChI=1S/C4H6ClNO3/c5-1-3(7)6-2-4(8)9/h1-2H2,(H,6,7)(H,8,9)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.38 OCHEM 0 » -1
3.38 AttenGpKa training set 0 » -1
3.38 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization