Keyword(s): Human Metabolites
Molecule Category Free-form
UNII S52U9V4QZQ
EPA CompTox DTXSID50209228

Structure

InChI Key UGTLNHLTOZDVCT-UHFFFAOYSA-N
Smiles CC1(C)COC(=O)N1Br
InChI
InChI=1S/C5H8BrNO2/c1-5(2)3-9-4(8)7(5)6/h3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H8Br1N1O2
Molecular Weight 192.97
AlogP 1.53
Hydrogen Bond Acceptor 2.0
Polar Surface Area 29.54
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 60491-95-4
NORMAN SUSDAT
FDA SRS S52U9V4QZQ
PubChem 94595
ChemSpider 85359.0