Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70946188

Structure

InChI Key LXDUOIDIFSKLNB-YFKPBYRVSA-N
Smiles O=C(N1CCCC1C(=O)O)CCl
InChI
InChI=1/C7H10ClNO3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4H2,(H,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10ClNO3
Molecular Weight 191.03
AlogP 0.3
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 57.61
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 23500-10-9
NORMAN SUSDAT
PubChem 2795121