Keyword(s): Human Metabolites
Molecule Category Free-form
UNII NV8D383GB8
EPA CompTox DTXSID00202966

Structure

InChI Key QMDPGDCZIVOKNA-UHFFFAOYSA-N
Smiles FC1=CC=C(C=C1)CCCCCl
InChI
InChI=1/C10H12ClF/c11-8-2-1-3-9-4-6-10(12)7-5-9/h4-7H,1-3,8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12ClF
Molecular Weight 186.06
AlogP 3.39
Number of Rotational Bond 4.0
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 54540-58-8
NORMAN SUSDAT
FDA SRS NV8D383GB8
PubChem 3016889