Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8Z2TY4MZF4
EPA CompTox DTXSID80196531

Structure

InChI Key DPJHZJGAGIWXTD-UHFFFAOYSA-N
Smiles O=S(=O)(C1=CC=C(F)C=C1)C
InChI
InChI=1/C7H7FO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H7FO2S
Molecular Weight 174.02
AlogP 1.23
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 34.14
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 455-15-2
NORMAN SUSDAT
FDA SRS 8Z2TY4MZF4
PubChem 67994