Keyword(s): Human Metabolites
Molecule Category Free-form
UNII D5ARQ6B32V
EPA CompTox DTXSID80149981

Structure

InChI Key PYOLPWAVSYVLMM-UHFFFAOYSA-N
Smiles CN1C(=O)C(=C(Cl)C1=O)Cl
InChI
InChI=1S/C5H3Cl2NO2/c1-8-4(9)2(6)3(7)5(8)10/h1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H3Cl2N1O2
Molecular Weight 178.95
AlogP 0.67
Hydrogen Bond Acceptor 2.0
Polar Surface Area 37.38
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 1123-61-1
NORMAN SUSDAT
FDA SRS D5ARQ6B32V
PubChem 14293
ChemSpider 13655.0