Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60956514

Structure

InChI Key HQOMJNUPLXPBNB-UHFFFAOYSA-N
Smiles O=C(OC)C(=O)C(Cl)C(=O)OC
InChI
InChI=1/C6H7ClO5/c1-11-5(9)3(7)4(8)6(10)12-2/h3H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H7ClO5
Molecular Weight 194.0
AlogP -0.49
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 3.0
Polar Surface Area 69.67
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 35073-82-6
NORMAN SUSDAT
PubChem 3015729