Keyword(s): Human Metabolites
Molecule Category Free-form
UNII R7A6F5D3KY
EPA CompTox DTXSID1022215

Structure

InChI Key SZFUWUOHDRMCKD-UHFFFAOYSA-N
Smiles Clc1c[nH]c(=O)cc1
InChI
InChI=1S/C5H4ClNO/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H4Cl1N1O1
Molecular Weight 129.0
AlogP 1.44
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 33.12
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 4214-79-3
NORMAN SUSDAT
FDA SRS R7A6F5D3KY
PubChem 77889
ChemSpider 70281.0