Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00992254

Structure

InChI Key KNJPVCXGHKZYQE-UHFFFAOYSA-N
Smiles FC=1C=CC=CC1OCCCCl
InChI
InChI=1/C9H10ClFO/c10-6-3-7-12-9-5-2-1-4-8(9)11/h1-2,4-5H,3,6-7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10ClFO
Molecular Weight 188.04
AlogP 2.83
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 9.23
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 71662-36-7
NORMAN SUSDAT
PubChem 3018222