Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20955543

Structure

InChI Key RDXMEUDCEWSFDP-UHFFFAOYSA-N
Smiles N#CC(O)CCl
InChI
InChI=1/C3H4ClNO/c4-1-3(6)2-5/h3,6H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H4ClNO
Molecular Weight 105.0
AlogP 0.11
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 44.02
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 33965-80-9
NORMAN SUSDAT
PubChem 94451