Keyword(s): Human Metabolites
Molecule Category Free-form
UNII YP3X7K7SYB
EPA CompTox DTXSID5061906

Structure

InChI Key SYVNVEGIRVXRQH-UHFFFAOYSA-N
Smiles O=C(Cl)C=1C=CC=C(F)C1
InChI
InChI=1/C7H4ClFO/c8-7(10)5-2-1-3-6(9)4-5/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H4ClFO
Molecular Weight 157.99
AlogP 2.2
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 1711-07-5
NORMAN SUSDAT
FDA SRS YP3X7K7SYB
PubChem 74376