Keyword(s): Human Metabolites
Molecule Category Free-form
UNII JS7C0HP303
EPA CompTox DTXSID6059784

Structure

InChI Key FICAQKBMCKEFDI-UHFFFAOYSA-N
Smiles N=1OC(=CC1C)C
InChI
InChI=1/C5H7NO/c1-4-3-5(2)7-6-4/h3H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H7NO
Molecular Weight 97.05
AlogP 1.29
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.03
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 300-87-8
NORMAN SUSDAT
FDA SRS JS7C0HP303
PubChem 9312