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

Structure

InChI Key FNOZCEQRXKPZEZ-UHFFFAOYSA-N
Smiles O=C1OC(CCl)CN1
InChI
InChI=1/C4H6ClNO2/c5-1-3-2-6-4(7)8-3/h3H,1-2H2,(H,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6ClNO2
Molecular Weight 135.01
AlogP 0.54
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 41.82
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 22625-57-6
NORMAN SUSDAT
PubChem 90815