Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8VSZ7Q3B9E

Structure

InChI Key JEQDSBVHLKBEIZ-UHFFFAOYSA-N
Smiles O=C(Cl)C(Cl)C
InChI
InChI=1/C3H4Cl2O/c1-2(4)3(5)6/h2H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H4Cl2O
Molecular Weight 125.96
AlogP 1.38
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 7623-09-8
NORMAN SUSDAT
FDA SRS 8VSZ7Q3B9E
PubChem 111019