Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 0FWP306H7X
EPA CompTox DTXSID2042199

Structure

InChI Key JRNVZBWKYDBUCA-UHFFFAOYSA-N
Smiles ClN1C(=O)CCC1=O
InChI
InChI=1S/C4H4ClNO2/c5-6-3(7)1-2-4(6)8/h1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H4Cl1N1O2
Molecular Weight 132.99
AlogP 0.29
Hydrogen Bond Acceptor 2.0
Polar Surface Area 37.38
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 128-09-6
NORMAN SUSDAT
FDA SRS 0FWP306H7X
PubChem 31398
ChemSpider 29129.0